N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide

C27H26N2O3S — CID 42417365

IUPACN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1OC
InChIInChI=1S/C27H26N2O3S/c1-17-6-7-18-14-20(16-29(21-9-10-21)27(30)25-5-4-12-33-25)26(28-22(18)13-17)19-8-11-23(31-2)24(15-19)32-3/h4-8,11-15,21H,9-10,16H2,1-3H3
InChIKeyNTGOBCBPJUPQAN-UHFFFAOYSA-N
MW458.58 g/mol
LogP6.09
Rot. Bonds7

About N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide

N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 42417365) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID42417365
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1OC
InChIInChI=1S/C27H26N2O3S/c1-17-6-7-18-14-20(16-29(21-9-10-21)27(30)25-5-4-12-33-25)26(28-22(18)13-17)19-8-11-23(31-2)24(15-19)32-3/h4-8,11-15,21H,9-10,16H2,1-3H3
InChIKeyNTGOBCBPJUPQAN-UHFFFAOYSA-N
XLogP6.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42451188
(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95871411
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42484022
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
CID 143670287
N-[[5-(2-acetyl-4-pyridinyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
CID 143670236
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42472762
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 29152256
2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 143670009
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide (CID 42417365) is N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide is COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NTGOBCBPJUPQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-17-6-7-18-14-20(16-29(21-9-10-21)27(30)25-5-4-12-33-25)26(28-22(18)13-17)19-8-11-23(31-2)24(15-19)32-3/h4-8,11-15,21H,9-10,16H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42417365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).