4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid

C19H19N3O2 — CID 7138098

IUPAC4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(Nc2ccc(N(C)C)cc2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C19H19N3O2/c1-12-10-17(21-14-5-7-15(8-6-14)22(2)3)16-9-4-13(19(23)24)11-18(16)20-12/h4-11H,1-3H3,(H,20,21)(H,23,24)
InChIKeyVXXNJZVZNUIFRY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.05
Rot. Bonds4

About 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid

4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid (PubChem CID 7138098) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
PubChem CID7138098
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(Nc2ccc(N(C)C)cc2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C19H19N3O2/c1-12-10-17(21-14-5-7-15(8-6-14)22(2)3)16-9-4-13(19(23)24)11-18(16)20-12/h4-11H,1-3H3,(H,20,21)(H,23,24)
InChIKeyVXXNJZVZNUIFRY-UHFFFAOYSA-N
XLogP4.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
CID 7138077
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
4-[[4-(4-carboxyanilino)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 90753530
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid (CID 7138098) is 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid is Cc1cc(Nc2ccc(N(C)C)cc2)c2ccc(C(=O)O)cc2n1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid?
The InChIKey is VXXNJZVZNUIFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-10-17(21-14-5-7-15(8-6-14)22(2)3)16-9-4-13(19(23)24)11-18(16)20-12/h4-11H,1-3H3,(H,20,21)(H,23,24).
What are the key properties of 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid?
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid is sourced from PubChem (CID 7138098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).