2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid

C19H15F2NO3 — CID 18073533

IUPAC2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
SMILESCc1cc2nc(-c3ccccc3OC(F)F)cc(C(=O)O)c2cc1C
InChIInChI=1S/C19H15F2NO3/c1-10-7-13-14(18(23)24)9-16(22-15(13)8-11(10)2)12-5-3-4-6-17(12)25-19(20)21/h3-9,19H,1-2H3,(H,23,24)
InChIKeyAQFOYWDAMYTMST-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.82
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid

2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid (PubChem CID 18073533) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
PubChem CID18073533
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
SMILESCc1cc2nc(-c3ccccc3OC(F)F)cc(C(=O)O)c2cc1C
InChIInChI=1S/C19H15F2NO3/c1-10-7-13-14(18(23)24)9-16(22-15(13)8-11(10)2)12-5-3-4-6-17(12)25-19(20)21/h3-9,19H,1-2H3,(H,23,24)
InChIKeyAQFOYWDAMYTMST-UHFFFAOYSA-N
XLogP4.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
CID 8966170
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-iodo-2-(2-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 58862468
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide
CID 10779238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid (CID 18073533) is 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid is Cc1cc2nc(-c3ccccc3OC(F)F)cc(C(=O)O)c2cc1C.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid?
The InChIKey is AQFOYWDAMYTMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-10-7-13-14(18(23)24)9-16(22-15(13)8-11(10)2)12-5-3-4-6-17(12)25-19(20)21/h3-9,19H,1-2H3,(H,23,24).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid?
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 18073533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).