N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide

C29H40N4O4 — CID 26345157

IUPACN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)CCc3ccc(C)cc3)cc2c(OC)c1OC
InChIInChI=1S/C29H40N4O4/c1-20-9-11-21(12-10-20)13-14-26(34)33(16-15-31(2)3)19-22-17-23-24(30-29(22)32(4)5)18-25(35-6)28(37-8)27(23)36-7/h9-12,17-18H,13-16,19H2,1-8H3
InChIKeyUGCBQBLCCWVJCM-UHFFFAOYSA-N
MW508.66 g/mol
LogP4.16
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide (PubChem CID 26345157) has the molecular formula C29H40N4O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide
PubChem CID26345157
Molecular FormulaC29H40N4O4
Molecular Weight508.66 g/mol
Exact Mass508.30
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)CCc3ccc(C)cc3)cc2c(OC)c1OC
InChIInChI=1S/C29H40N4O4/c1-20-9-11-21(12-10-20)13-14-26(34)33(16-15-31(2)3)19-22-17-23-24(30-29(22)32(4)5)18-25(35-6)28(37-8)27(23)36-7/h9-12,17-18H,13-16,19H2,1-8H3
InChIKeyUGCBQBLCCWVJCM-UHFFFAOYSA-N
XLogP4.16
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.66
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide with MolForge

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Related Compounds

N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26342772
N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
CID 118758234
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
CID 135820936
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 62505147
N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 16808242

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide (CID 26345157) is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide is COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)CCc3ccc(C)cc3)cc2c(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is UGCBQBLCCWVJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4/c1-20-9-11-21(12-10-20)13-14-26(34)33(16-15-31(2)3)19-22-17-23-24(30-29(22)32(4)5)18-25(35-6)28(37-8)27(23)36-7/h9-12,17-18H,13-16,19H2,1-8H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide?
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 508.66 g/mol, XLogP of 4.16, 12 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)-5,6,7-trimethoxyquinolin-3-yl]methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 26345157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).