(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate

C15H14N2O3S — CID 99823244

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)s1
InChIInChI=1S/C15H14N2O3S/c1-2-14-16-8-12(21-14)15(19)20-10-5-3-9-4-6-13(18)17-11(9)7-10/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyYEWQWMGHQVQKIP-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.81
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 99823244) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate
PubChem CID99823244
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)s1
InChIInChI=1S/C15H14N2O3S/c1-2-14-16-8-12(21-14)15(19)20-10-5-3-9-4-6-13(18)17-11(9)7-10/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyYEWQWMGHQVQKIP-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 154753906
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate
CID 99823234
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 99823242
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
CID 174954354
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate (CID 99823244) is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate is CCc1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)s1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is YEWQWMGHQVQKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-14-16-8-12(21-14)15(19)20-10-5-3-9-4-6-13(18)17-11(9)7-10/h3,5,7-8H,2,4,6H2,1H3,(H,17,18).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 99823244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).