N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C23H26N4O — CID 11485632

IUPACN-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O/c1-25-12-14-27(15-13-25)22-16-20(19-10-6-7-11-21(19)24-22)23(28)26(2)17-18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyVNUJLXFUNRPPGM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.26
Rot. Bonds4

About N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11485632) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11485632
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O/c1-25-12-14-27(15-13-25)22-16-20(19-10-6-7-11-21(19)24-22)23(28)26(2)17-18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyVNUJLXFUNRPPGM-UHFFFAOYSA-N
XLogP3.26
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide 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

Luotonin A
CID 10334120
Tzb-30878
CID 11430418
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
Kaspar
CID 10365638
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
CID 44404241
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
CID 49872246
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11485632) is N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CN1CCN(c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is VNUJLXFUNRPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-25-12-14-27(15-13-25)22-16-20(19-10-6-7-11-21(19)24-22)23(28)26(2)17-18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).