N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C16H15N3O2S — CID 30600917

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N3O2S/c1-10-18-11(9-22-10)6-7-17-16(21)13-8-15(20)19-14-5-3-2-4-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyQGSOAIBUADVLBA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 30600917) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID30600917
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N3O2S/c1-10-18-11(9-22-10)6-7-17-16(21)13-8-15(20)19-14-5-3-2-4-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyQGSOAIBUADVLBA-UHFFFAOYSA-N
XLogP2.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42575034
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70756563
2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106037293
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75357001
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56803252
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 30600917) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1nc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is QGSOAIBUADVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-18-11(9-22-10)6-7-17-16(21)13-8-15(20)19-14-5-3-2-4-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 30600917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).