2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide

C15H17N3O3 — CID 18162773

IUPAC2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-7-16-14(20)9-17-15(21)11-8-13(19)18-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJDDUTSXFXRXPBB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.78
Rot. Bonds5

About 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide

2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 18162773) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
PubChem CID18162773
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-7-16-14(20)9-17-15(21)11-8-13(19)18-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJDDUTSXFXRXPBB-UHFFFAOYSA-N
XLogP0.78
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346342
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide (CID 18162773) is 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide is CCCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is JDDUTSXFXRXPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-7-16-14(20)9-17-15(21)11-8-13(19)18-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).