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

C25H21Cl2N3O2 — CID 3188168

IUPAC2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O2/c1-2-7-23-29-22-13-12-17(28-24(31)18-9-4-6-11-21(18)27)14-19(22)25(32)30(23)15-16-8-3-5-10-20(16)26/h3-6,8-14H,2,7,15H2,1H3,(H,28,31)
InChIKeyCUSWBXVOIDRDJK-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.96
Rot. Bonds6

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

2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (PubChem CID 3188168) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
PubChem CID3188168
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O2/c1-2-7-23-29-22-13-12-17(28-24(31)18-9-4-6-11-21(18)27)14-19(22)25(32)30(23)15-16-8-3-5-10-20(16)26/h3-6,8-14H,2,7,15H2,1H3,(H,28,31)
InChIKeyCUSWBXVOIDRDJK-UHFFFAOYSA-N
XLogP5.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl)-4(3H)-quinazolinone
CID 135444661
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
CID 63201
FR-255595
CID 135532443
2-[2-(2-chlorophenyl)vinyl]-3-ethyl-4(3H)-quinazolinone
CID 6247184
2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-one
CID 135580315
6-Amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone
CID 1173996
2-methyl-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748024
2-chloro-N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
CID 3188315
2-Chloro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazolin-2-YL}benzamide
CID 4259169
3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one
CID 9908809
N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
CID 9913498
3-(2-Chlorophenyl)-6-fluoro-2-[[3-(pyrrolidin-1-ylmethyl)anilino]methyl]quinazolin-4-one
CID 10434512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (CID 3188168) is 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The InChIKey is CUSWBXVOIDRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-2-7-23-29-22-13-12-17(28-24(31)18-9-4-6-11-21(18)27)14-19(22)25(32)30(23)15-16-8-3-5-10-20(16)26/h3-6,8-14H,2,7,15H2,1H3,(H,28,31).
What are the key properties of 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is sourced from PubChem (CID 3188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).