3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

C18H21FN2O3 — CID 111696915

IUPAC3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESO=C(CCN1C(=O)CCc2cc(F)ccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C18H21FN2O3/c19-14-3-5-16-13(10-14)2-6-18(24)21(16)8-7-17(23)20-15-4-1-12(9-15)11-22/h1,3-5,10,12,15,22H,2,6-9,11H2,(H,20,23)/t12-,15+/m0/s1
InChIKeyUJVLACPSXODHSR-SWLSCSKDSA-N
MW332.38 g/mol
LogP1.55
Rot. Bonds5

About 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (PubChem CID 111696915) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
PubChem CID111696915
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESO=C(CCN1C(=O)CCc2cc(F)ccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C18H21FN2O3/c19-14-3-5-16-13(10-14)2-6-18(24)21(16)8-7-17(23)20-15-4-1-12(9-15)11-22/h1,3-5,10,12,15,22H,2,6-9,11H2,(H,20,23)/t12-,15+/m0/s1
InChIKeyUJVLACPSXODHSR-SWLSCSKDSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid
CID 119195279
1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 119033231
N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71971167
1-(2-cyclopentyl-2-oxoethyl)-6-fluoro-3,4-dihydroquinolin-2-one
CID 104751280
3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
CID 111661196
1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 43519642
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111
tert-butyl (2R)-4-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]-2-methylpiperazine-1-carboxylate
CID 91650326
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
CID 76853933

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (CID 111696915) is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.
What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is O=C(CCN1C(=O)CCc2cc(F)ccc21)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The InChIKey is UJVLACPSXODHSR-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-14-3-5-16-13(10-14)2-6-18(24)21(16)8-7-17(23)20-15-4-1-12(9-15)11-22/h1,3-5,10,12,15,22H,2,6-9,11H2,(H,20,23)/t12-,15+/m0/s1.
What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide has a molecular weight of 332.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is sourced from PubChem (CID 111696915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).