N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide

C20H23N3O2 — CID 56883665

IUPACN-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1)c1ccnc2ccccc12
InChIInChI=1S/C20H23N3O2/c24-19(17-9-10-21-18-6-2-1-5-16(17)18)22-15-8-7-14(13-15)20(25)23-11-3-4-12-23/h1-2,5-6,9-10,14-15H,3-4,7-8,11-13H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyMPIAZARCOBGQFB-LSDHHAIUSA-N
MW337.42 g/mol
LogP2.76
Rot. Bonds3

About N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide

N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide (PubChem CID 56883665) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
PubChem CID56883665
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1)c1ccnc2ccccc12
InChIInChI=1S/C20H23N3O2/c24-19(17-9-10-21-18-6-2-1-5-16(17)18)22-15-8-7-14(13-15)20(25)23-11-3-4-12-23/h1-2,5-6,9-10,14-15H,3-4,7-8,11-13H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyMPIAZARCOBGQFB-LSDHHAIUSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea
CID 126835808
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
CID 112804091
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
N-[2-[(2S)-2-(2-chloroacetyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 90655562
N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
CID 172895594

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide (CID 56883665) is N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide is O=C(N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1)c1ccnc2ccccc12.
What is the InChIKey of N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide?
The InChIKey is MPIAZARCOBGQFB-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(17-9-10-21-18-6-2-1-5-16(17)18)22-15-8-7-14(13-15)20(25)23-11-3-4-12-23/h1-2,5-6,9-10,14-15H,3-4,7-8,11-13H2,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide?
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide is sourced from PubChem (CID 56883665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).