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

C15H14N2O3S — CID 154753906

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCc1nc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c(C)s1
InChIInChI=1S/C15H14N2O3S/c1-8-14(16-9(2)21-8)15(19)20-11-5-3-10-4-6-13(18)17-12(10)7-11/h3,5,7H,4,6H2,1-2H3,(H,17,18)
InChIKeyHADFRROHKUYGMI-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.86
Rot. Bonds2

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

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate (PubChem CID 154753906) 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) 2,5-dimethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate
PubChem CID154753906
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCc1nc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c(C)s1
InChIInChI=1S/C15H14N2O3S/c1-8-14(16-9(2)21-8)15(19)20-11-5-3-10-4-6-13(18)17-12(10)7-11/h3,5,7H,4,6H2,1-2H3,(H,17,18)
InChIKeyHADFRROHKUYGMI-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.86
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) 2,5-dimethyl-1,3-thiazole-4-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-ethyl-1,3-thiazole-5-carboxylate
CID 99823244
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate
CID 99823234
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 99823242
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanamide
CID 114939986

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate (CID 154753906) is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate is Cc1nc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c(C)s1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The InChIKey is HADFRROHKUYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-14(16-9(2)21-8)15(19)20-11-5-3-10-4-6-13(18)17-12(10)7-11/h3,5,7H,4,6H2,1-2H3,(H,17,18).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.86, 2 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) 2,5-dimethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 154753906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).