4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid

C22H23N3O2 — CID 7138046

IUPAC4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C22H23N3O2/c1-16-13-21(19-8-7-18(22(26)27)14-20(19)23-16)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)
InChIKeyXTVUSKCEOHFGPO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid

4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid (PubChem CID 7138046) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid
PubChem CID7138046
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C22H23N3O2/c1-16-13-21(19-8-7-18(22(26)27)14-20(19)23-16)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)
InChIKeyXTVUSKCEOHFGPO-UHFFFAOYSA-N
XLogP3.56
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
CID 7138050
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041
2-methyl-4-piperazin-4-ium-1-ylquinoline-6-carboxylic acid
CID 7137891
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
4-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-methylquinoline
CID 80670661
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
3-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122029027
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid (CID 7138046) is 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid is Cc1cc(N2CCN(Cc3ccccc3)CC2)c2ccc(C(=O)O)cc2n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid?
The InChIKey is XTVUSKCEOHFGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-13-21(19-8-7-18(22(26)27)14-20(19)23-16)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,26,27).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid?
4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid is sourced from PubChem (CID 7138046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).