N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

C20H23N3O2 — CID 111661790

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H23N3O2/c24-13-14-7-8-16(11-14)21-20(25)17-12-15-5-1-2-6-18(15)22-19(17)23-9-3-4-10-23/h1-2,5-8,12,14,16,24H,3-4,9-11,13H2,(H,21,25)/t14-,16+/m0/s1
InChIKeyWAPPVSRIWMOCOX-GOEBONIOSA-N
MW337.42 g/mol
LogP2.50
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 111661790) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID111661790
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H23N3O2/c24-13-14-7-8-16(11-14)21-20(25)17-12-15-5-1-2-6-18(15)22-19(17)23-9-3-4-10-23/h1-2,5-8,12,14,16,24H,3-4,9-11,13H2,(H,21,25)/t14-,16+/m0/s1
InChIKeyWAPPVSRIWMOCOX-GOEBONIOSA-N
XLogP2.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
CID 86941241
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886621
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56559807
N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 100663266
N-[(1-phenyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 99595468
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56515869
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 111661790) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is WAPPVSRIWMOCOX-GOEBONIOSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-13-14-7-8-16(11-14)21-20(25)17-12-15-5-1-2-6-18(15)22-19(17)23-9-3-4-10-23/h1-2,5-8,12,14,16,24H,3-4,9-11,13H2,(H,21,25)/t14-,16+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 111661790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).