N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide

C29H33N3O3S — CID 118758234

IUPACN-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)Cc3ccsc3)cc12
InChIInChI=1S/C29H33N3O3S/c1-20-6-8-22(9-7-20)28-23(17-24-25(34-4)10-11-26(35-5)29(24)30-28)18-32(14-13-31(2)3)27(33)16-21-12-15-36-19-21/h6-12,15,17,19H,13-14,16,18H2,1-5H3
InChIKeyIBILWKIWEXLRBF-UHFFFAOYSA-N
MW503.67 g/mol
LogP5.42
Rot. Bonds10

About N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide

N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 118758234) has the molecular formula C29H33N3O3S and a molecular weight of 503.67 g/mol. Its IUPAC name is N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
PubChem CID118758234
Molecular FormulaC29H33N3O3S
Molecular Weight503.67 g/mol
Exact Mass503.22
IUPAC NameN-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)Cc3ccsc3)cc12
InChIInChI=1S/C29H33N3O3S/c1-20-6-8-22(9-7-20)28-23(17-24-25(34-4)10-11-26(35-5)29(24)30-28)18-32(14-13-31(2)3)27(33)16-21-12-15-36-19-21/h6-12,15,17,19H,13-14,16,18H2,1-5H3
InChIKeyIBILWKIWEXLRBF-UHFFFAOYSA-N
XLogP5.42
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
CID 70779266
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
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
5-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-methoxybenzamide
CID 171386674
N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925

Frequently Asked Questions

What is the IUPAC name of N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide (CID 118758234) is N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide is COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)Cc3ccsc3)cc12.
What is the InChIKey of N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is IBILWKIWEXLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3S/c1-20-6-8-22(9-7-20)28-23(17-24-25(34-4)10-11-26(35-5)29(24)30-28)18-32(14-13-31(2)3)27(33)16-21-12-15-36-19-21/h6-12,15,17,19H,13-14,16,18H2,1-5H3.
What are the key properties of N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide?
N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 503.67 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118758234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).