N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide

C14H15FN2O2 — CID 3217702

IUPACN-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-3-7-16-14(19)10-8-17-12-9(13(10)18)5-4-6-11(12)15/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyDNVULGFMRZBOFT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.20
Rot. Bonds4

About N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217702) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217702
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-3-7-16-14(19)10-8-17-12-9(13(10)18)5-4-6-11(12)15/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyDNVULGFMRZBOFT-UHFFFAOYSA-N
XLogP2.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.20
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 N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 3217702) is N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is CCCCNC(=O)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DNVULGFMRZBOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-3-7-16-14(19)10-8-17-12-9(13(10)18)5-4-6-11(12)15/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).