N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C26H32N4O2S — CID 45166039

IUPACN-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc2nc(N3CCCCCC3)c(CN(CC3CCCO3)C(=O)c3cncs3)cc2c1
InChIInChI=1S/C26H32N4O2S/c1-19-8-9-23-20(13-19)14-21(25(28-23)29-10-4-2-3-5-11-29)16-30(17-22-7-6-12-32-22)26(31)24-15-27-18-33-24/h8-9,13-15,18,22H,2-7,10-12,16-17H2,1H3
InChIKeyBKQLDIDZLUFFAT-UHFFFAOYSA-N
MW464.64 g/mol
LogP5.20
Rot. Bonds6

About N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 45166039) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID45166039
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc2nc(N3CCCCCC3)c(CN(CC3CCCO3)C(=O)c3cncs3)cc2c1
InChIInChI=1S/C26H32N4O2S/c1-19-8-9-23-20(13-19)14-21(25(28-23)29-10-4-2-3-5-11-29)16-30(17-22-7-6-12-32-22)26(31)24-15-27-18-33-24/h8-9,13-15,18,22H,2-7,10-12,16-17H2,1H3
InChIKeyBKQLDIDZLUFFAT-UHFFFAOYSA-N
XLogP5.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42539160
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166967
4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45186810
3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
CID 42499083
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26398689
2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26398686
3-methyl-N-[[6-methyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45215274
2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45196925
N-[[2-(3-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 45169792
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 45166039) is N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccc2nc(N3CCCCCC3)c(CN(CC3CCCO3)C(=O)c3cncs3)cc2c1.
What is the InChIKey of N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BKQLDIDZLUFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-19-8-9-23-20(13-19)14-21(25(28-23)29-10-4-2-3-5-11-29)16-30(17-22-7-6-12-32-22)26(31)24-15-27-18-33-24/h8-9,13-15,18,22H,2-7,10-12,16-17H2,1H3.
What are the key properties of N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 464.64 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45166039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).