N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide

C29H36N4O4 — CID 22427695

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC
InChIInChI=1S/C29H36N4O4/c1-20-17-27(33-15-5-4-6-16-33)32-24-9-8-22(19-23(20)24)31-29(35)12-11-28(34)30-14-13-21-7-10-25(36-2)26(18-21)37-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyZTYHCQPRICOKPD-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.63
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide (PubChem CID 22427695) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
PubChem CID22427695
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC
InChIInChI=1S/C29H36N4O4/c1-20-17-27(33-15-5-4-6-16-33)32-24-9-8-22(19-23(20)24)31-29(35)12-11-28(34)30-14-13-21-7-10-25(36-2)26(18-21)37-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyZTYHCQPRICOKPD-UHFFFAOYSA-N
XLogP4.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide with MolForge

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Related Compounds

N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288431
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
2,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 4648744
1-(2-methoxyethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005440
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 46248019
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069402
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide (CID 22427695) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide is COc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide?
The InChIKey is ZTYHCQPRICOKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-20-17-27(33-15-5-4-6-16-33)32-24-9-8-22(19-23(20)24)31-29(35)12-11-28(34)30-14-13-21-7-10-25(36-2)26(18-21)37-3/h7-10,17-19H,4-6,11-16H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide has a molecular weight of 504.63 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide is sourced from PubChem (CID 22427695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).