N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

C28H28N2O3S — CID 29087125

IUPACN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C28H28N2O3S/c1-18-5-4-6-20-14-21(16-30(22-7-8-22)26(31)13-19-11-12-34-17-19)28(29-27(18)20)24-15-23(32-2)9-10-25(24)33-3/h4-6,9-12,14-15,17,22H,7-8,13,16H2,1-3H3
InChIKeyRBLUMZVMVQCVGG-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.02
Rot. Bonds8

About N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 29087125) has the molecular formula C28H28N2O3S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID29087125
Molecular FormulaC28H28N2O3S
Molecular Weight472.61 g/mol
Exact Mass472.18
IUPAC NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C28H28N2O3S/c1-18-5-4-6-20-14-21(16-30(22-7-8-22)26(31)13-19-11-12-34-17-19)28(29-27(18)20)24-15-23(32-2)9-10-25(24)33-3/h4-6,9-12,14-15,17,22H,7-8,13,16H2,1-3H3
InChIKeyRBLUMZVMVQCVGG-UHFFFAOYSA-N
XLogP6.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42430371
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42428711
2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
CID 42435423
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
CID 118758234

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (CID 29087125) is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is COc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is RBLUMZVMVQCVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3S/c1-18-5-4-6-20-14-21(16-30(22-7-8-22)26(31)13-19-11-12-34-17-19)28(29-27(18)20)24-15-23(32-2)9-10-25(24)33-3/h4-6,9-12,14-15,17,22H,7-8,13,16H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 472.61 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 29087125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).