N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C26H25N3O3S — CID 42451188

IUPACN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cncs2)C2CC2)cc1OC
InChIInChI=1S/C26H25N3O3S/c1-16-4-5-17-11-19(14-29(20-7-8-20)26(30)24-13-27-15-33-24)25(28-21(17)10-16)18-6-9-22(31-2)23(12-18)32-3/h4-6,9-13,15,20H,7-8,14H2,1-3H3
InChIKeyNPOMEXLAWNERJC-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.49
Rot. Bonds7

About N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide

N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 42451188) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID42451188
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cncs2)C2CC2)cc1OC
InChIInChI=1S/C26H25N3O3S/c1-16-4-5-17-11-19(14-29(20-7-8-20)26(30)24-13-27-15-33-24)25(28-21(17)10-16)18-6-9-22(31-2)23(12-18)32-3/h4-6,9-13,15,20H,7-8,14H2,1-3H3
InChIKeyNPOMEXLAWNERJC-UHFFFAOYSA-N
XLogP5.49
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 29152256
(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-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
(3S)-1-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]piperidine-3-carbonitrile
CID 95871680
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 42162632
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110860261
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 42451188) is N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cncs2)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NPOMEXLAWNERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-16-4-5-17-11-19(14-29(20-7-8-20)26(30)24-13-27-15-33-24)25(28-21(17)10-16)18-6-9-22(31-2)23(12-18)32-3/h4-6,9-13,15,20H,7-8,14H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42451188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).