7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C16H16ClFN2O2 — CID 10615860

IUPAC7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C16H16ClFN2O2/c17-12-7-14-10(6-13(12)18)15(21)11(8-19-14)16(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22)
InChIKeyZGOLHWTUZKINFG-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.38
Rot. Bonds2

About 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10615860) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10615860
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C16H16ClFN2O2/c17-12-7-14-10(6-13(12)18)15(21)11(8-19-14)16(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22)
InChIKeyZGOLHWTUZKINFG-UHFFFAOYSA-N
XLogP3.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 10615860) is 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is O=C(NC1CCCCC1)c1c[nH]c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZGOLHWTUZKINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-12-7-14-10(6-13(12)18)15(21)11(8-19-14)16(22)20-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,21)(H,20,22).
What are the key properties of 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10615860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).