71421536 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 17 17 8 8 7 7 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 2 3 3 4 4 5 5 6 6 7 7 7 8 9 9 10 11 12 14 15 15 16 16 16 17 18 18 19 19 20 21 21 22 22 22 23 23 23 24 13 20 10 22 11 23 8 14 13 14 8 9 13 12 10 25 11 12 26 15 17 27 17 18 19 28 20 29 21 30 24 24 31 32 33 34 35 36 37 38 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 15 14 27 17 16 28 3 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 5.4804 11.5942 2 2 5.492 6.3981 4.5981 4.5981 3.732 2.866 2.866 3.732 5.492 6.3981 7.2622 8.9942 8.1301 9.8622 8.9904 10.7263 9.8544 2 2 10.7224 3.732 3.732 7.2598 8.1325 9.8646 8.4522 9.8521 1.38 2 2.62 2.62 2 1.38 11.2581 -2.2844 0.2911 -1.2498 0.7502 0.7849 -0.7706 -0.7498 0.2502 -1.2498 -0.7498 0.2502 0.7502 -1.2844 0.271 0.7744 0.781 0.2777 0.2844 1.781 0.7877 2.2844 -2.2498 1.7502 1.7877 -1.8698 1.3702 1.3944 -0.3423 -0.3356 2.089 2.9044 -2.2498 -2.8698 -2.2498 1.7502 2.3702 1.7502 2.0998 8 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 8 8 5 5 6 6 7 7 7 8 9 10 11 15 16 16 18 19 20 21 8 14 13 14 8 9 13 12 10 11 12 17 18 19 20 21 24 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 437 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B30000600000000000000000000000000000000003C6080000000000000B1F400001E02000000000C0E819F2233D6F6081400A003266264008288292127A009982036EE988D2EA2C5FBDB84342A6EC01BCAE827B0D0130E20400122000240004080024400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-2-[2-(3-chlorophenyl)vinyl]-6,7-dimethoxy-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxyquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloranyl-2-[2-(3-chlorophenyl)ethenyl]-6,7-dimethoxy-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-2-[2-(3-chlorophenyl)vinyl]-6,7-dimethoxy-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H14Cl2N2O2/c1-23-15-9-13-14(10-16(15)24-2)21-17(22-18(13)20)7-6-11-4-3-5-12(19)8-11/h3-10H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AFNNROHOZGRGFE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.0432331 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H14Cl2N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC(=CC=C3)Cl)Cl)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC(=CC=C3)Cl)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.0432331 24 0 0 0 1 0 1 0 1 -1