5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one

C12H10ClF2NO3 — CID 62891234

IUPAC5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C(F)F)cc(=O)c2c1Cl
InChIInChI=1S/C12H10ClF2NO3/c1-18-7-4-8(19-2)11-9(10(7)13)6(17)3-5(16-11)12(14)15/h3-4,12H,1-2H3,(H,16,17)
InChIKeyPCZZRIYRTJMEBK-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one

5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one (PubChem CID 62891234) has the molecular formula C12H10ClF2NO3 and a molecular weight of 289.67 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one
PubChem CID62891234
Molecular FormulaC12H10ClF2NO3
Molecular Weight289.67 g/mol
Exact Mass289.03
IUPAC Name5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C(F)F)cc(=O)c2c1Cl
InChIInChI=1S/C12H10ClF2NO3/c1-18-7-4-8(19-2)11-9(10(7)13)6(17)3-5(16-11)12(14)15/h3-4,12H,1-2H3,(H,16,17)
InChIKeyPCZZRIYRTJMEBK-UHFFFAOYSA-N
XLogP3.14
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one?
The IUPAC name of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one (CID 62891234) is 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one is COc1cc(OC)c2[nH]c(C(F)F)cc(=O)c2c1Cl.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one?
The InChIKey is PCZZRIYRTJMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO3/c1-18-7-4-8(19-2)11-9(10(7)13)6(17)3-5(16-11)12(14)15/h3-4,12H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one?
5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one has a molecular weight of 289.67 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-6,8-dimethoxy-1H-quinolin-4-one is sourced from PubChem (CID 62891234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).