4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one

C13H13F2NO2 — CID 123785354

IUPAC4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(CCCC(F)F)c2ccc(O)cc2[nH]1
InChIInChI=1S/C13H13F2NO2/c14-12(15)3-1-2-8-6-13(18)16-11-7-9(17)4-5-10(8)11/h4-7,12,17H,1-3H2,(H,16,18)
InChIKeyYGPNZGWSOZWSLJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.82
Rot. Bonds4

About 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one

4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one (PubChem CID 123785354) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one
PubChem CID123785354
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(CCCC(F)F)c2ccc(O)cc2[nH]1
InChIInChI=1S/C13H13F2NO2/c14-12(15)3-1-2-8-6-13(18)16-11-7-9(17)4-5-10(8)11/h4-7,12,17H,1-3H2,(H,16,18)
InChIKeyYGPNZGWSOZWSLJ-UHFFFAOYSA-N
XLogP2.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
CID 14624971
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
7-(dimethylamino)-4-propyl-1H-quinolin-2-one
CID 143071028
4-butyl-6-methyl-1H-quinolin-2-one
CID 166443059
[4-(3-methylhexyl)-2-oxo-1H-quinolin-7-yl] sulfamate
CID 20817622
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115028648
3-(10,10-difluorodecyl)benzene-1,2-diol
CID 154435751
4-(3-cyclopropylpropyl)-1H-quinolin-2-one
CID 123202652
7-hydroxy-4-octylchromen-2-one
CID 139771377

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one?
The IUPAC name of 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one (CID 123785354) is 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one is O=c1cc(CCCC(F)F)c2ccc(O)cc2[nH]1.
What is the InChIKey of 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one?
The InChIKey is YGPNZGWSOZWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-12(15)3-1-2-8-6-13(18)16-11-7-9(17)4-5-10(8)11/h4-7,12,17H,1-3H2,(H,16,18).
What are the key properties of 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one?
4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one has a molecular weight of 253.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 123785354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).