4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide

C19H15ClN2O2 — CID 32837503

IUPAC4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C19H15ClN2O2/c20-15-7-5-13(6-8-15)18(23)9-10-19(24)22-16-11-14-3-1-2-4-17(14)21-12-16/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyTUJUKALXRCHUMJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.49
Rot. Bonds5

About 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide

4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide (PubChem CID 32837503) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
PubChem CID32837503
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C19H15ClN2O2/c20-15-7-5-13(6-8-15)18(23)9-10-19(24)22-16-11-14-3-1-2-4-17(14)21-12-16/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyTUJUKALXRCHUMJ-UHFFFAOYSA-N
XLogP4.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-quinolin-3-ylpropanamide
CID 18146539
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide (CID 32837503) is 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnc2ccccc2c1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide?
The InChIKey is TUJUKALXRCHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-15-7-5-13(6-8-15)18(23)9-10-19(24)22-16-11-14-3-1-2-4-17(14)21-12-16/h1-8,11-12H,9-10H2,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide?
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide has a molecular weight of 338.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide is sourced from PubChem (CID 32837503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).