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

C20H22N4OS — CID 29152256

IUPACN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3cncs3)C3CC3)c(N(C)C)nc2c1
InChIInChI=1S/C20H22N4OS/c1-13-4-5-14-9-15(19(23(2)3)22-17(14)8-13)11-24(16-6-7-16)20(25)18-10-21-12-26-18/h4-5,8-10,12,16H,6-7,11H2,1-3H3
InChIKeyFDXYXBRNAHVCMC-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.87
Rot. Bonds5

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

N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 29152256) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID29152256
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3cncs3)C3CC3)c(N(C)C)nc2c1
InChIInChI=1S/C20H22N4OS/c1-13-4-5-14-9-15(19(23(2)3)22-17(14)8-13)11-24(16-6-7-16)20(25)18-10-21-12-26-18/h4-5,8-10,12,16H,6-7,11H2,1-3H3
InChIKeyFDXYXBRNAHVCMC-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.87
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
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]propanamide
CID 26324760
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 42434334
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45166039
3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
CID 118754930
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
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-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 856829
2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
CID 43442466
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966475

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 29152256) is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ccc2cc(CN(C(=O)c3cncs3)C3CC3)c(N(C)C)nc2c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FDXYXBRNAHVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-4-5-14-9-15(19(23(2)3)22-17(14)8-13)11-24(16-6-7-16)20(25)18-10-21-12-26-18/h4-5,8-10,12,16H,6-7,11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 29152256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).