N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H13N3O3S — CID 53498086

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C15H13N3O3S/c1-8(19)12-7-22-15(17-12)18-14(21)10-6-13(20)16-11-5-3-2-4-9(10)11/h2-5,7,10H,6H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyDOKVILFCNIFBOS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.41
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 53498086) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID53498086
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C15H13N3O3S/c1-8(19)12-7-22-15(17-12)18-14(21)10-6-13(20)16-11-5-3-2-4-9(10)11/h2-5,7,10H,6H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyDOKVILFCNIFBOS-UHFFFAOYSA-N
XLogP2.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 53498086) is N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(=O)c1csc(NC(=O)C2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DOKVILFCNIFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-8(19)12-7-22-15(17-12)18-14(21)10-6-13(20)16-11-5-3-2-4-9(10)11/h2-5,7,10H,6H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 53498086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).