3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

C31H25Cl2N3O2 — CID 3188335

IUPAC3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H25Cl2N3O2/c1-2-6-29-35-28-16-15-24(34-30(37)22-7-5-8-23(32)17-22)18-26(28)31(38)36(29)19-20-11-13-21(14-12-20)25-9-3-4-10-27(25)33/h3-5,7-18H,2,6,19H2,1H3,(H,34,37)
InChIKeyJDLZNBUNADRWNX-UHFFFAOYSA-N
MW542.47 g/mol
LogP7.62
Rot. Bonds7

About 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (PubChem CID 3188335) has the molecular formula C31H25Cl2N3O2 and a molecular weight of 542.47 g/mol. Its IUPAC name is 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
PubChem CID3188335
Molecular FormulaC31H25Cl2N3O2
Molecular Weight542.47 g/mol
Exact Mass541.13
IUPAC Name3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H25Cl2N3O2/c1-2-6-29-35-28-16-15-24(34-30(37)22-7-5-8-23(32)17-22)18-26(28)31(38)36(29)19-20-11-13-21(14-12-20)25-9-3-4-10-27(25)33/h3-5,7-18H,2,6,19H2,1H3,(H,34,37)
InChIKeyJDLZNBUNADRWNX-UHFFFAOYSA-N
XLogP7.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.47
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188343
1-(2-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188341
N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]thiophene-2-carboxamide
CID 3188320
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
CID 3188306
1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3201867
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]-2,2-dimethylpropanamide
CID 3188297
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
3-[[4-(3-chlorophenyl)phenyl]methyl]-6-nitro-2-propylquinazolin-4-one
CID 3188248
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (CID 3188335) is 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is CCCc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The InChIKey is JDLZNBUNADRWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Cl2N3O2/c1-2-6-29-35-28-16-15-24(34-30(37)22-7-5-8-23(32)17-22)18-26(28)31(38)36(29)19-20-11-13-21(14-12-20)25-9-3-4-10-27(25)33/h3-5,7-18H,2,6,19H2,1H3,(H,34,37).
What are the key properties of 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide has a molecular weight of 542.47 g/mol, XLogP of 7.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is sourced from PubChem (CID 3188335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).