6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid

C17H12F2N2O2 — CID 23239670

IUPAC6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
SMILESCc1cccc(Nc2c(C(=O)O)cnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C17H12F2N2O2/c1-9-3-2-4-11(5-9)21-15-12-6-10(18)7-14(19)16(12)20-8-13(15)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeySCCZGDFJGOHRQV-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.26
Rot. Bonds3

About 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid

6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid (PubChem CID 23239670) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
PubChem CID23239670
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
SMILESCc1cccc(Nc2c(C(=O)O)cnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C17H12F2N2O2/c1-9-3-2-4-11(5-9)21-15-12-6-10(18)7-14(19)16(12)20-8-13(15)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeySCCZGDFJGOHRQV-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
CID 58946117
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54678751
3,5-difluoro-4-(3-methylanilino)benzoic acid
CID 55159434
4-amino-6,8-difluoroquinoline-3-carboxylic acid
CID 46397763
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
4-acetamido-8-fluoroquinoline-3-carboxylic acid
CID 102543427
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
4-(3-bromoanilino)quinoline-3-carboxylic acid
CID 22466647
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid?
The IUPAC name of 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid (CID 23239670) is 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid is Cc1cccc(Nc2c(C(=O)O)cnc3c(F)cc(F)cc23)c1.
What is the InChIKey of 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid?
The InChIKey is SCCZGDFJGOHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-9-3-2-4-11(5-9)21-15-12-6-10(18)7-14(19)16(12)20-8-13(15)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid?
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid has a molecular weight of 314.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 23239670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).