2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

C23H18ClN3O2 — CID 7294904

IUPAC2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-25-21-8-3-2-7-20(21)23(29)27(15)19-6-4-5-18(14-19)26-22(28)13-16-9-11-17(24)12-10-16/h2-12,14H,13H2,1H3,(H,26,28)
InChIKeyPBSVUMWMVYDULJ-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (PubChem CID 7294904) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
PubChem CID7294904
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-25-21-8-3-2-7-20(21)23(29)27(15)19-6-4-5-18(14-19)26-22(28)13-16-9-11-17(24)12-10-16/h2-12,14H,13H2,1H3,(H,26,28)
InChIKeyPBSVUMWMVYDULJ-UHFFFAOYSA-N
XLogP4.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 171649584
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzamide
CID 7294862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (CID 7294904) is 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The InChIKey is PBSVUMWMVYDULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-25-21-8-3-2-7-20(21)23(29)27(15)19-6-4-5-18(14-19)26-22(28)13-16-9-11-17(24)12-10-16/h2-12,14H,13H2,1H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is sourced from PubChem (CID 7294904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).