2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one

C101H66Br5Cl3F9N13O6 — CID 158301949

IUPAC2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3cc(Br)cc(C(F)(F)F)c3)[nH]c(=O)c2c1.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)c(C(F)(F)F)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3cn(Cc4ccccc4)c4cccc(Cl)c34)nc12.O=c1[nH]c(-c2cc(Br)cc(C(F)(F)F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C24H18ClN3O.2C16H10BrF3N2O.C15H7Br2F3N2O.C15H11BrN2O.C15H10Cl2N2O/c1-15-7-5-10-17-22(15)26-23(27-24(17)29)18-14-28(13-16-8-3-2-4-9-16)20-12-6-11-19(25)21(18)20;1-8-2-3-13-12(4-8)15(23)22-14(21-13)9-5-10(16(18,19)20)7-11(17)6-9;1-8-3-2-4-10-13(8)21-14(22-15(10)23)9-5-6-12(17)11(7-9)16(18,19)20;16-9-1-2-12-11(6-9)14(23)22-13(21-12)7-3-8(15(18,19)20)5-10(17)4-7;1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10;1-8-3-2-4-10-13(8)18-14(19-15(10)20)9-5-6-11(16)12(17)7-9/h2-12,14H,13H2,1H3,(H,26,27,29);2*2-7H,1H3,(H,21,22,23);1-6H,(H,21,22,23);2-8H,1H3,(H,17,18,19);2-7H,1H3,(H,18,19,20)
InChIKeyGMPGQVOGGZLMQF-UHFFFAOYSA-N
MW2234.58 g/mol
LogP27.91
Rot. Bonds8

About 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one

2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one (PubChem CID 158301949) has the molecular formula C101H66Br5Cl3F9N13O6 and a molecular weight of 2234.58 g/mol. Its IUPAC name is 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one
PubChem CID158301949
Molecular FormulaC101H66Br5Cl3F9N13O6
Molecular Weight2234.58 g/mol
Exact Mass2227.01
IUPAC Name2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3cc(Br)cc(C(F)(F)F)c3)[nH]c(=O)c2c1.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)c(C(F)(F)F)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3cn(Cc4ccccc4)c4cccc(Cl)c34)nc12.O=c1[nH]c(-c2cc(Br)cc(C(F)(F)F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C24H18ClN3O.2C16H10BrF3N2O.C15H7Br2F3N2O.C15H11BrN2O.C15H10Cl2N2O/c1-15-7-5-10-17-22(15)26-23(27-24(17)29)18-14-28(13-16-8-3-2-4-9-16)20-12-6-11-19(25)21(18)20;1-8-2-3-13-12(4-8)15(23)22-14(21-13)9-5-10(16(18,19)20)7-11(17)6-9;1-8-3-2-4-10-13(8)21-14(22-15(10)23)9-5-6-12(17)11(7-9)16(18,19)20;16-9-1-2-12-11(6-9)14(23)22-13(21-12)7-3-8(15(18,19)20)5-10(17)4-7;1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10;1-8-3-2-4-10-13(8)18-14(19-15(10)20)9-5-6-11(16)12(17)7-9/h2-12,14H,13H2,1H3,(H,26,27,29);2*2-7H,1H3,(H,21,22,23);1-6H,(H,21,22,23);2-8H,1H3,(H,17,18,19);2-7H,1H3,(H,18,19,20)
InChIKeyGMPGQVOGGZLMQF-UHFFFAOYSA-N
XLogP27.91
TPSA279.43 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.58
LogP ≤ 527.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one (CID 158301949) is 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3cc(Br)cc(C(F)(F)F)c3)[nH]c(=O)c2c1.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)c(C(F)(F)F)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12.Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)nc12.Cc1cccc2c(=O)[nH]c(-c3cn(Cc4ccccc4)c4cccc(Cl)c34)nc12.O=c1[nH]c(-c2cc(Br)cc(C(F)(F)F)c2)nc2ccc(Br)cc12.
What is the InChIKey of 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one?
The InChIKey is GMPGQVOGGZLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O.2C16H10BrF3N2O.C15H7Br2F3N2O.C15H11BrN2O.C15H10Cl2N2O/c1-15-7-5-10-17-22(15)26-23(27-24(17)29)18-14-28(13-16-8-3-2-4-9-16)20-12-6-11-19(25)21(18)20;1-8-2-3-13-12(4-8)15(23)22-14(21-13)9-5-10(16(18,19)20)7-11(17)6-9;1-8-3-2-4-10-13(8)21-14(22-15(10)23)9-5-6-12(17)11(7-9)16(18,19)20;16-9-1-2-12-11(6-9)14(23)22-13(21-12)7-3-8(15(18,19)20)5-10(17)4-7;1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10;1-8-3-2-4-10-13(8)18-14(19-15(10)20)9-5-6-11(16)12(17)7-9/h2-12,14H,13H2,1H3,(H,26,27,29);2*2-7H,1H3,(H,21,22,23);1-6H,(H,21,22,23);2-8H,1H3,(H,17,18,19);2-7H,1H3,(H,18,19,20).
What are the key properties of 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one?
2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one has a molecular weight of 2234.58 g/mol, XLogP of 27.91, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one;6-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;2-(4-bromophenyl)-8-methyl-3H-quinazolin-4-one;2-[3-bromo-5-(trifluoromethyl)phenyl]-6-methyl-3H-quinazolin-4-one;2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one;2-(3,4-dichlorophenyl)-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 158301949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).