3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one

C13H15FN2O — CID 84627729

IUPAC3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one
SMILESNCCCCc1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C13H15FN2O/c14-11-4-5-12-10(8-11)7-9(13(17)16-12)3-1-2-6-15/h4-5,7-8H,1-3,6,15H2,(H,16,17)
InChIKeyIIZDTNPKUQDKFH-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.95
Rot. Bonds4

About 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one

3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one (PubChem CID 84627729) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one
PubChem CID84627729
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one
SMILESNCCCCc1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C13H15FN2O/c14-11-4-5-12-10(8-11)7-9(13(17)16-12)3-1-2-6-15/h4-5,7-8H,1-3,6,15H2,(H,16,17)
InChIKeyIIZDTNPKUQDKFH-UHFFFAOYSA-N
XLogP1.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.95
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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Related Compounds

3-(4-aminobutyl)-6-chloro-1H-quinolin-2-one
CID 84634074
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043
6-amino-3-(aminomethyl)-1H-quinolin-2-one
CID 82504541
6-fluoro-3-(6-fluoro-2-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-2-one
CID 67008016
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
2-(4-aminobutyl)-5-fluorobenzoic acid
CID 117301287
N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110674051
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one (CID 84627729) is 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one is NCCCCc1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one?
The InChIKey is IIZDTNPKUQDKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-4-5-12-10(8-11)7-9(13(17)16-12)3-1-2-6-15/h4-5,7-8H,1-3,6,15H2,(H,16,17).
What are the key properties of 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one?
3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one has a molecular weight of 234.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 84627729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).