7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide

C16H15FN2O3 — CID 111696910

IUPAC7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15FN2O3/c17-10-2-4-12-13(7-15(21)19-14(12)6-10)16(22)18-11-3-1-9(5-11)8-20/h1-4,6-7,9,11,20H,5,8H2,(H,18,22)(H,19,21)/t9-,11+/m0/s1
InChIKeyFUTPLNQTDIETBC-GXSJLCMTSA-N
MW302.31 g/mol
LogP1.33
Rot. Bonds3

About 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 111696910) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID111696910
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15FN2O3/c17-10-2-4-12-13(7-15(21)19-14(12)6-10)16(22)18-11-3-1-9(5-11)8-20/h1-4,6-7,9,11,20H,5,8H2,(H,18,22)(H,19,21)/t9-,11+/m0/s1
InChIKeyFUTPLNQTDIETBC-GXSJLCMTSA-N
XLogP1.33
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 111696910) is 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FUTPLNQTDIETBC-GXSJLCMTSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-10-2-4-12-13(7-15(21)19-14(12)6-10)16(22)18-11-3-1-9(5-11)8-20/h1-4,6-7,9,11,20H,5,8H2,(H,18,22)(H,19,21)/t9-,11+/m0/s1.
What are the key properties of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 111696910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).