2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

C21H20ClN3O2 — CID 9299791

IUPAC2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H20ClN3O2/c1-13(2)24-20(26)12-23-21(27)17-11-19(14-7-9-15(22)10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDWPWOESRRQOQIZ-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (PubChem CID 9299791) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
PubChem CID9299791
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H20ClN3O2/c1-13(2)24-20(26)12-23-21(27)17-11-19(14-7-9-15(22)10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDWPWOESRRQOQIZ-UHFFFAOYSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
[(2R)-1-amino-1-oxopropan-2-yl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544036
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544012
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (CID 9299791) is 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is CC(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is DWPWOESRRQOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(2)24-20(26)12-23-21(27)17-11-19(14-7-9-15(22)10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 9299791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).