8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid

C12H9F2NO3 — CID 18002698

IUPAC8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cccc(OC(F)F)c2n1
InChIInChI=1S/C12H9F2NO3/c1-6-5-8(11(16)17)7-3-2-4-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyPPPWVUPOGMSFTO-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.84
Rot. Bonds3

About 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid

8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid (PubChem CID 18002698) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
PubChem CID18002698
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cccc(OC(F)F)c2n1
InChIInChI=1S/C12H9F2NO3/c1-6-5-8(11(16)17)7-3-2-4-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyPPPWVUPOGMSFTO-UHFFFAOYSA-N
XLogP2.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
CID 82574267
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
CID 18073533
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
4-(difluoromethoxy)-1,3-benzoxazole-2-carboxylic acid
CID 118846827
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
(E)-3-(8-methoxy-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82449680
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
CID 7138156
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
CID 62197887

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid (CID 18002698) is 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cccc(OC(F)F)c2n1.
What is the InChIKey of 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid?
The InChIKey is PPPWVUPOGMSFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-6-5-8(11(16)17)7-3-2-4-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17).
What are the key properties of 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid?
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 18002698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).