68026281 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 8 7 7 7 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 2 2 2 3 3 4 4 5 5 5 6 6 7 8 8 9 10 10 11 11 12 13 13 14 14 15 15 16 16 17 17 18 19 20 21 21 21 8 9 5 6 7 7 20 12 20 8 22 23 9 11 10 24 25 14 12 13 16 26 17 15 27 18 28 19 21 18 29 19 30 31 32 33 34 35 36 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 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 5.5301 5.5301 6.3961 5.5301 4.6641 6.3961 5.5301 4.6641 6.3961 4.6641 7.2901 4.6641 3.7702 7.2901 2.8641 8.1962 3.7702 8.1962 2.8641 6.3961 2 4.452 4.0535 4.0535 4.452 7.2829 3.7773 7.2829 8.7319 3.7773 8.7319 2.3284 6.9331 1.6879 1.4643 2.3121 -2.5 -0.5 1 2.5 -1 -1 0.5 -2 -2 1 -0.4653 2 0.4653 -2.5347 0.9792 -0.9792 2.5347 -2.0208 2.0208 2 0.4758 -0.4174 -1.1077 -1.8923 -2.5826 0.1546 -0.1546 -3.1546 -0.6671 3.1546 -2.3329 2.3329 2.31 1.0116 0.1638 -0.0599 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 9 10 10 11 12 13 14 15 16 17 7 20 12 20 9 11 10 14 12 13 16 17 15 18 19 18 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 364 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371C07B20000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CE19E0637F6F7081400A003266364008288293122A009D8203F6C988E2EE2C4F9DB873C28ECC013D8E82790C0400E08000200000210001000040000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methylquinazolin-4-yl)-2,3-dihydro-1,4-benzoxazine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methyl-4-quinazolinyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methylquinazolin-4-yl)-2,3-dihydro-1,4-benzoxazine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methylquinazolin-4-yl)-2,3-dihydro-1,4-benzoxazine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methylquinazolin-4-yl)-2,3-dihydro-1,4-benzoxazine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-methylquinazolin-4-yl)-2,3-dihydro-1,4-benzoxazine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O/c1-12-6-7-14-13(10-12)17(19-11-18-14)20-8-9-21-16-5-3-2-4-15(16)20/h2-7,10-11H,8-9H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PKMFSPQOCVBGCV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=CN=C2N3CCOC4=CC=CC=C43 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=CN=C2N3CCOC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.121512110 21 0 0 0 0 0 0 0 1 -1