N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide

C25H30N4O3 — CID 15987645

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)CC1
InChIInChI=1S/C25H30N4O3/c1-5-28-8-10-29(11-9-28)24-12-17(2)22-15-19(6-7-23(22)27-24)26-25(30)18-13-20(31-3)16-21(14-18)32-4/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,30)
InChIKeyCJDFEASPARUQMH-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide (PubChem CID 15987645) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
PubChem CID15987645
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)CC1
InChIInChI=1S/C25H30N4O3/c1-5-28-8-10-29(11-9-28)24-12-17(2)22-15-19(6-7-23(22)27-24)26-25(30)18-13-20(31-3)16-21(14-18)32-4/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,30)
InChIKeyCJDFEASPARUQMH-UHFFFAOYSA-N
XLogP3.95
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-(8-quinolinyl)benzamide
CID 835394
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742
3,5-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504526
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide
CID 3224090
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-3-(4-(trifluoromethoxy)phenyl)acrylamide
CID 9804849
(E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 10456755
(E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11496739
(E)-N-[2-((3S,5R)-3,5-Dimethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11562129
(E)-N-[2-(4-Ethyl-piperazin-1-ylmethyl)-3-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11591169
(E)-N-(2-{[(2-Dimethylamino-ethyl)-methyl-amino]-methyl}-3-methyl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11605260

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide (CID 15987645) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide?
The InChIKey is CJDFEASPARUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-5-28-8-10-29(11-9-28)24-12-17(2)22-15-19(6-7-23(22)27-24)26-25(30)18-13-20(31-3)16-21(14-18)32-4/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 15987645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).