2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide

C22H23N3O2 — CID 9163082

IUPAC2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-3-12-23-21(26)14-24-22(27)18-13-20(16-10-8-15(2)9-11-16)25-19-7-5-4-6-17(18)19/h4-11,13H,3,12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMKIRUANWCAYRBT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide (PubChem CID 9163082) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
PubChem CID9163082
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-3-12-23-21(26)14-24-22(27)18-13-20(16-10-8-15(2)9-11-16)25-19-7-5-4-6-17(18)19/h4-11,13H,3,12,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMKIRUANWCAYRBT-UHFFFAOYSA-N
XLogP3.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide (CID 9163082) is 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide is CCCNC(=O)CNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is MKIRUANWCAYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-12-23-21(26)14-24-22(27)18-13-20(16-10-8-15(2)9-11-16)25-19-7-5-4-6-17(18)19/h4-11,13H,3,12,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 9163082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).