N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide

C29H44N6O2 — CID 22334469

IUPACN'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
SMILESCCCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)CC1
InChIInChI=1S/C29H44N6O2/c1-3-13-33-17-19-34(20-18-33)14-7-12-30-28(36)10-11-29(37)31-24-8-9-26-25(22-24)23(2)21-27(32-26)35-15-5-4-6-16-35/h8-9,21-22H,3-7,10-20H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyKXGBIEVMLZCAAC-UHFFFAOYSA-N
MW508.71 g/mol
LogP3.79
Rot. Bonds11

About N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide

N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide (PubChem CID 22334469) has the molecular formula C29H44N6O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide.

Molecular Properties

Compound NameN'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
PubChem CID22334469
Molecular FormulaC29H44N6O2
Molecular Weight508.71 g/mol
Exact Mass508.35
IUPAC NameN'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
SMILESCCCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)CC1
InChIInChI=1S/C29H44N6O2/c1-3-13-33-17-19-34(20-18-33)14-7-12-30-28(36)10-11-29(37)31-24-8-9-26-25(22-24)23(2)21-27(32-26)35-15-5-4-6-16-35/h8-9,21-22H,3-7,10-20H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyKXGBIEVMLZCAAC-UHFFFAOYSA-N
XLogP3.79
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide 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-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 45489217
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 22427825
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
CID 22427695
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
CID 22427010
1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]thiourea
CID 46247970
6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
CID 90005472
buta-1,2,3-triene;N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide;penta-1,2,3,4-tetraene
CID 159776902

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide?
The IUPAC name of N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide (CID 22334469) is N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide.
What is the SMILES notation for N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide?
The canonical SMILES for N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide is CCCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)CC1.
What is the InChIKey of N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide?
The InChIKey is KXGBIEVMLZCAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N6O2/c1-3-13-33-17-19-34(20-18-33)14-7-12-30-28(36)10-11-29(37)31-24-8-9-26-25(22-24)23(2)21-27(32-26)35-15-5-4-6-16-35/h8-9,21-22H,3-7,10-20H2,1-2H3,(H,30,36)(H,31,37).
What are the key properties of N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide?
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide has a molecular weight of 508.71 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide is sourced from PubChem (CID 22334469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).