4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide

C20H17ClN2O3 — CID 110613710

IUPAC4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
SMILESCc1cc2ccc(NC(=O)CCC(=O)c3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H17ClN2O3/c1-12-9-13-5-6-16(11-17(13)23-20(12)26)22-19(25)8-7-18(24)14-3-2-4-15(21)10-14/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyYADJDBPTPDUPSW-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.09
Rot. Bonds5

About 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide

4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide (PubChem CID 110613710) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
PubChem CID110613710
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
SMILESCc1cc2ccc(NC(=O)CCC(=O)c3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H17ClN2O3/c1-12-9-13-5-6-16(11-17(13)23-20(12)26)22-19(25)8-7-18(24)14-3-2-4-15(21)10-14/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyYADJDBPTPDUPSW-UHFFFAOYSA-N
XLogP4.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388
1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
CID 110618975
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
3-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427940
3-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604374
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427972
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427991
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide (CID 110613710) is 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide is Cc1cc2ccc(NC(=O)CCC(=O)c3cccc(Cl)c3)cc2[nH]c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide?
The InChIKey is YADJDBPTPDUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-9-13-5-6-16(11-17(13)23-20(12)26)22-19(25)8-7-18(24)14-3-2-4-15(21)10-14/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide?
4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide has a molecular weight of 368.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide is sourced from PubChem (CID 110613710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).