54738908 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 10 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 19 19 20 20 21 21 22 22 23 10 39 12 4 12 17 5 6 7 10 8 13 9 14 9 15 16 11 12 18 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 19 20 21 40 22 41 23 42 23 43 44 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 5.5301 7.2622 5.5301 4.6641 4.6641 3.7702 3.7702 2.8641 2.8641 5.5301 6.3961 6.3961 3.7817 3.7817 2 2 5.5301 7.2622 8.1282 7.2622 8.9942 8.1282 8.9942 3.1618 3.7889 4.4017 4.4017 3.7889 3.1618 1.6879 1.4643 2.3121 2.3121 1.4643 1.6879 4.9101 5.5301 6.1501 4.9932 8.1282 6.7252 9.5312 8.1282 9.5312 1.7673 -1.2327 -1.2327 -0.7327 0.2673 -1.2674 0.802 -0.7535 0.2881 0.7673 0.2673 -0.7327 -2.2673 1.8019 -1.2568 0.7914 -2.2327 0.7673 0.2673 1.7673 0.7673 2.2673 1.7673 -2.2745 -2.8873 -2.2601 1.7947 2.4218 1.8091 -0.7211 -1.5689 -1.7926 1.3272 1.1035 0.2557 -2.2327 -2.8527 -2.2327 2.0773 -0.3527 2.0773 0.4573 2.8873 2.0773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 7 8 10 11 18 18 19 20 21 22 4 12 5 6 7 10 8 9 9 11 12 19 20 21 22 23 23 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 506 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000306080000000000000814000001E00000800000C0C81980432C083000200880225525000820000212000088801084CC8082632C0959184700866C601C8D90798C8F08EC8000240001200009000048000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1,5,6,7,8-pentamethyl-3-phenylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1,5,6,7,8-pentamethyl-3-phenylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,5,6,7,8-pentamethyl-4-oxidanyl-3-phenyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1,5,6,7,8-pentamethyl-3-phenyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21NO2/c1-11-12(2)14(4)18-16(13(11)3)19(22)17(20(23)21(18)5)15-9-7-6-8-10-15/h6-10,22H,1-5H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IPBFDRIBOBNSAT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=C2C(=C1C)C(=C(C(=O)N2C)C3=CC=CC=C3)O)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=C2C(=C1C)C(=C(C(=O)N2C)C3=CC=CC=C3)O)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.157228913 23 0 0 0 0 0 0 0 1 -1