N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide

C27H36N4O4 — CID 29086533

IUPACN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C27H36N4O4/c1-18-10-9-11-19-14-21(26(30(4)5)28-24(18)19)17-31(13-12-29(2)3)27(32)20-15-22(33-6)25(35-8)23(16-20)34-7/h9-11,14-16H,12-13,17H2,1-8H3
InChIKeyCZZFNZPVGMFJCF-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.84
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 29086533) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID29086533
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C27H36N4O4/c1-18-10-9-11-19-14-21(26(30(4)5)28-24(18)19)17-31(13-12-29(2)3)27(32)20-15-22(33-6)25(35-8)23(16-20)34-7/h9-11,14-16H,12-13,17H2,1-8H3
InChIKeyCZZFNZPVGMFJCF-UHFFFAOYSA-N
XLogP3.84
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 29153761
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]prop-2-enamide
CID 28634596
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45204109
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16799100
2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
CID 42435423
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide
CID 26345157
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
N-[2-(dimethylamino)ethyl]-3-hydroxy-N-(naphthalen-1-ylmethyl)benzamide
CID 20628546
(E)-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 45237611
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 44930490
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide (CID 29086533) is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is CZZFNZPVGMFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-18-10-9-11-19-14-21(26(30(4)5)28-24(18)19)17-31(13-12-29(2)3)27(32)20-15-22(33-6)25(35-8)23(16-20)34-7/h9-11,14-16H,12-13,17H2,1-8H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 480.61 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 29086533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).