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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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).