N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide

C31H40N6O2 — CID 73388851

IUPACN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(C(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C31H40N6O2/c1-23-20-29(37-18-16-35(2)17-19-37)34-28-9-8-25(21-27(23)28)31(39)32-13-10-30(38)33-26-11-14-36(15-12-26)22-24-6-4-3-5-7-24/h3-9,20-21,26H,10-19,22H2,1-2H3,(H,32,39)(H,33,38)
InChIKeyZFAGIZBNPMNCHO-UHFFFAOYSA-N
MW528.70 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide

N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide (PubChem CID 73388851) has the molecular formula C31H40N6O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide
PubChem CID73388851
Molecular FormulaC31H40N6O2
Molecular Weight528.70 g/mol
Exact Mass528.32
IUPAC NameN-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(C(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C31H40N6O2/c1-23-20-29(37-18-16-35(2)17-19-37)34-28-9-8-25(21-27(23)28)31(39)32-13-10-30(38)33-26-11-14-36(15-12-26)22-24-6-4-3-5-7-24/h3-9,20-21,26H,10-19,22H2,1-2H3,(H,32,39)(H,33,38)
InChIKeyZFAGIZBNPMNCHO-UHFFFAOYSA-N
XLogP3.20
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-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

1-(1-benzylpiperidin-4-yl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 45489314
N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
CID 18121033
N-(1-benzylpiperidin-4-yl)-4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide
CID 3465247
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]butanediamide
CID 46503375
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
CID 73389427
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide?
The IUPAC name of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide (CID 73388851) is N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide?
The canonical SMILES for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide is Cc1cc(N2CCN(C)CC2)nc2ccc(C(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)cc12.
What is the InChIKey of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide?
The InChIKey is ZFAGIZBNPMNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O2/c1-23-20-29(37-18-16-35(2)17-19-37)34-28-9-8-25(21-27(23)28)31(39)32-13-10-30(38)33-26-11-14-36(15-12-26)22-24-6-4-3-5-7-24/h3-9,20-21,26H,10-19,22H2,1-2H3,(H,32,39)(H,33,38).
What are the key properties of N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide?
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide is sourced from PubChem (CID 73388851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).