8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide

C21H17N3O2S — CID 123726326

IUPAC8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1CO
InChIInChI=1S/C21H17N3O2S/c25-12-17-16(9-8-15-7-4-10-22-20(15)17)21(26)23-11-19-24-18(13-27-19)14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,23,26)
InChIKeyMBKCUTKKJOHQFB-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.78
Rot. Bonds5

About 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide

8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide (PubChem CID 123726326) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide
PubChem CID123726326
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1CO
InChIInChI=1S/C21H17N3O2S/c25-12-17-16(9-8-15-7-4-10-22-20(15)17)21(26)23-11-19-24-18(13-27-19)14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,23,26)
InChIKeyMBKCUTKKJOHQFB-UHFFFAOYSA-N
XLogP3.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzoic acid
CID 69643233
2-Oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylic acid
CID 22638539
4-(4-Fluoropiperidine-1-carbonyl)-5-(8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide
CID 121303178
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-{4-[(2-fluorophenyl)methoxy]piperidin-1-yl}ethyl}quinoline-5-carboxamide
CID 134303556
N-(2-{4-[(3-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)quinoline-5-carboxamide
CID 134303557
N-(2-{4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)quinoline-5-carboxamide
CID 134303558
N-(2-{4-[(2-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)quinoline-5-carboxamide
CID 134303581
N-(2-{4-[(4-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)quinoline-5-carboxamide
CID 134303602
N-(2-{4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)quinoline-5-carboxamide
CID 134303649
7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid
CID 51117498
2-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 177663088
N-[2-[[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl]phenyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 177663659

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide?
The IUPAC name of 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide (CID 123726326) is 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide.
What is the SMILES notation for 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide?
The canonical SMILES for 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide is O=C(NCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1CO.
What is the InChIKey of 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide?
The InChIKey is MBKCUTKKJOHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-12-17-16(9-8-15-7-4-10-22-20(15)17)21(26)23-11-19-24-18(13-27-19)14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,23,26).
What are the key properties of 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide?
8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinoline-7-carboxamide is sourced from PubChem (CID 123726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).