(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H15FN4O2 — CID 97119524

IUPAC(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCCc2cnc[nH]2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN4O2/c16-9-1-2-13-11(5-9)12(6-14(21)20-13)15(22)18-4-3-10-7-17-8-19-10/h1-2,5,7-8,12H,3-4,6H2,(H,17,19)(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyPAWSWJBYOZTODH-GFCCVEGCSA-N
MW302.31 g/mol
LogP1.33
Rot. Bonds4

About (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97119524) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97119524
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCCc2cnc[nH]2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN4O2/c16-9-1-2-13-11(5-9)12(6-14(21)20-13)15(22)18-4-3-10-7-17-8-19-10/h1-2,5,7-8,12H,3-4,6H2,(H,17,19)(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyPAWSWJBYOZTODH-GFCCVEGCSA-N
XLogP1.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97119524) is (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCCc2cnc[nH]2)c2cc(F)ccc2N1.
What is the InChIKey of (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PAWSWJBYOZTODH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-9-1-2-13-11(5-9)12(6-14(21)20-13)15(22)18-4-3-10-7-17-8-19-10/h1-2,5,7-8,12H,3-4,6H2,(H,17,19)(H,18,22)(H,20,21)/t12-/m1/s1.
What are the key properties of (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97119524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).