N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H18N4O3 — CID 87017576

IUPACN-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESN#CC1(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CCCC1
InChIInChI=1S/C18H18N4O3/c19-11-18(7-3-4-8-18)22-15(23)10-21-17(25)13-9-20-14-6-2-1-5-12(14)16(13)24/h1-2,5-6,9H,3-4,7-8,10H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyABOMIVPDFUARIH-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.21
Rot. Bonds4

About N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 87017576) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID87017576
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESN#CC1(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CCCC1
InChIInChI=1S/C18H18N4O3/c19-11-18(7-3-4-8-18)22-15(23)10-21-17(25)13-9-20-14-6-2-1-5-12(14)16(13)24/h1-2,5-6,9H,3-4,7-8,10H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyABOMIVPDFUARIH-UHFFFAOYSA-N
XLogP1.21
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607284
(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide
CID 99798995
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 87017576) is N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is N#CC1(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CCCC1.
What is the InChIKey of N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ABOMIVPDFUARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-11-18(7-3-4-8-18)22-15(23)10-21-17(25)13-9-20-14-6-2-1-5-12(14)16(13)24/h1-2,5-6,9H,3-4,7-8,10H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 87017576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).