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

C18H22ClFN2O2 — CID 10807959

IUPAC7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H22ClFN2O2/c1-2-3-4-5-6-7-8-21-18(24)13-11-22-16-10-14(19)15(20)9-12(16)17(13)23/h9-11H,2-8H2,1H3,(H,21,24)(H,22,23)
InChIKeyMJEPSSPSJCNJJY-UHFFFAOYSA-N
MW352.84 g/mol
LogP4.41
Rot. Bonds8

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

7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10807959) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10807959
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H22ClFN2O2/c1-2-3-4-5-6-7-8-21-18(24)13-11-22-16-10-14(19)15(20)9-12(16)17(13)23/h9-11H,2-8H2,1H3,(H,21,24)(H,22,23)
InChIKeyMJEPSSPSJCNJJY-UHFFFAOYSA-N
XLogP4.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide (CID 10807959) is 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide is CCCCCCCCNC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MJEPSSPSJCNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c1-2-3-4-5-6-7-8-21-18(24)13-11-22-16-10-14(19)15(20)9-12(16)17(13)23/h9-11H,2-8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10807959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).