4-(2-methylanilino)quinoline-3,6-dicarboxylic acid

C18H14N2O4 — CID 7719086

IUPAC4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyJOJXXNGTCZVZEH-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid

4-(2-methylanilino)quinoline-3,6-dicarboxylic acid (PubChem CID 7719086) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
PubChem CID7719086
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyJOJXXNGTCZVZEH-UHFFFAOYSA-N
XLogP3.68
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Floctafenine
CID 3360
Pf-05105679
CID 60195662
Carmoxirole
CID 57364
Methyl quinoline-6-carboxylate
CID 736812
4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CID 445091
Quinoline-3-carboxylic acid
CID 80971
2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
8-Quinolinecarboxylic acid
CID 66582
6-Quinolinecarboxylic acid
CID 82571
Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The IUPAC name of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid (CID 7719086) is 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid.
What is the SMILES notation for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The canonical SMILES for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid is Cc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12.
What is the InChIKey of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The InChIKey is JOJXXNGTCZVZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
4-(2-methylanilino)quinoline-3,6-dicarboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid is sourced from PubChem (CID 7719086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).