2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid

C22H24N4O2 — CID 7138021

IUPAC2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
SMILESCc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C22H24N4O2/c1-15-13-21(19-14-16(22(27)28)3-8-20(19)23-15)24-17-4-6-18(7-5-17)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,27,28)
InChIKeyGEWDALPATCXWSR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds4

About 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid

2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid (PubChem CID 7138021) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
PubChem CID7138021
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
SMILESCc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C22H24N4O2/c1-15-13-21(19-14-16(22(27)28)3-8-20(19)23-15)24-17-4-6-18(7-5-17)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,27,28)
InChIKeyGEWDALPATCXWSR-UHFFFAOYSA-N
XLogP3.74
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-4-(4-piperidin-1-ylanilino)quinoline-6-carboxylate
CID 23854503
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
CID 175783724
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid?
The IUPAC name of 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid (CID 7138021) is 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid is Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid?
The InChIKey is GEWDALPATCXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-21(19-14-16(22(27)28)3-8-20(19)23-15)24-17-4-6-18(7-5-17)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,27,28).
What are the key properties of 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid?
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid is sourced from PubChem (CID 7138021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).