N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide

C23H28N4O2S — CID 42539160

IUPACN-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1csc(C)n1
InChIInChI=1S/C23H28N4O2S/c1-16-6-7-20-18(12-16)13-19(22(25-20)26-8-4-5-9-26)14-27(10-11-29-3)23(28)21-15-30-17(2)24-21/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
InChIKeyBYTJQFAPRZMEBN-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.20
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide

N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42539160) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID42539160
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1csc(C)n1
InChIInChI=1S/C23H28N4O2S/c1-16-6-7-20-18(12-16)13-19(22(25-20)26-8-4-5-9-26)14-27(10-11-29-3)23(28)21-15-30-17(2)24-21/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
InChIKeyBYTJQFAPRZMEBN-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
CID 42499083
N-[[2-(azepan-1-yl)-7-fluoroquinolin-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 26347373
N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45166039
N-[[6-(3-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25465139
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134062420
(3R)-1-[6-methyl-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95874018
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 45249608
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 45240414
(5Z)-3-(3-methoxypropyl)-5-[(6-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473480
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 42539160) is N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide is COCCN(Cc1cc2cc(C)ccc2nc1N1CCCC1)C(=O)c1csc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BYTJQFAPRZMEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-16-6-7-20-18(12-16)13-19(22(25-20)26-8-4-5-9-26)14-27(10-11-29-3)23(28)21-15-30-17(2)24-21/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42539160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).