3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one

C10H6ClF2NO2 — CID 114759282

IUPAC3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2ccc(OC(F)F)cc12
InChIInChI=1S/C10H6ClF2NO2/c11-7-4-14-8-2-1-5(16-10(12)13)3-6(8)9(7)15/h1-4,10H,(H,14,15)
InChIKeyVDRSGQDHXJTCCD-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.78
Rot. Bonds2

About 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one

3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one (PubChem CID 114759282) has the molecular formula C10H6ClF2NO2 and a molecular weight of 245.61 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
PubChem CID114759282
Molecular FormulaC10H6ClF2NO2
Molecular Weight245.61 g/mol
Exact Mass245.01
IUPAC Name3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2ccc(OC(F)F)cc12
InChIInChI=1S/C10H6ClF2NO2/c11-7-4-14-8-2-1-5(16-10(12)13)3-6(8)9(7)15/h1-4,10H,(H,14,15)
InChIKeyVDRSGQDHXJTCCD-UHFFFAOYSA-N
XLogP2.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 171588338
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
3-cyclohexyl-5-(difluoromethoxy)-1H-indole
CID 106985011
3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
CID 71146329
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
2-cyclopropyl-6-(difluoromethoxy)-1H-quinolin-4-one
CID 63358135
6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
CID 43668344
3-chloro-5-(difluoromethoxy)-2H-indazole
CID 76846077
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
ethyl 2-amino-2-[[5-(difluoromethoxy)-1H-indol-3-yl]methyl]butanoate
CID 90801911

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one (CID 114759282) is 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one is O=c1c(Cl)c[nH]c2ccc(OC(F)F)cc12.
What is the InChIKey of 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one?
The InChIKey is VDRSGQDHXJTCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NO2/c11-7-4-14-8-2-1-5(16-10(12)13)3-6(8)9(7)15/h1-4,10H,(H,14,15).
What are the key properties of 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one?
3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one has a molecular weight of 245.61 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 114759282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).