2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide

C25H20ClN3O2 — CID 118296422

IUPAC2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C25H20ClN3O2/c26-20-12-5-4-10-18(20)24(30)29-23(16-17-8-2-1-3-9-17)25(31)28-22-14-6-13-21-19(22)11-7-15-27-21/h1-15,23H,16H2,(H,28,31)(H,29,30)
InChIKeyGKGQMBIJEADUCS-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.87
Rot. Bonds6

About 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide

2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide (PubChem CID 118296422) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
PubChem CID118296422
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C25H20ClN3O2/c26-20-12-5-4-10-18(20)24(30)29-23(16-17-8-2-1-3-9-17)25(31)28-22-14-6-13-21-19(22)11-7-15-27-21/h1-15,23H,16H2,(H,28,31)(H,29,30)
InChIKeyGKGQMBIJEADUCS-UHFFFAOYSA-N
XLogP4.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-oxo-3-phenylpropan-2-yl)benzamide;2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide;N-methylisoquinolin-5-amine
CID 144901013
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
CID 144901091
molecular hydrogen;N-[1-oxo-4-phenyl-1-(quinolin-5-ylamino)butan-2-yl]benzamide
CID 153367729
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide (CID 118296422) is 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ncccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide?
The InChIKey is GKGQMBIJEADUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-20-12-5-4-10-18(20)24(30)29-23(16-17-8-2-1-3-9-17)25(31)28-22-14-6-13-21-19(22)11-7-15-27-21/h1-15,23H,16H2,(H,28,31)(H,29,30).
What are the key properties of 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide?
2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide has a molecular weight of 429.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 118296422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).