(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

C16H16ClNO3S — CID 95136942

IUPAC(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO3S/c1-20-6-7-21-10-2-3-11-12(14-4-5-15(17)22-14)9-16(19)18-13(11)8-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXEZLGFNYZQCLSQ-LBPRGKRZSA-N
MW337.83 g/mol
LogP3.90
Rot. Bonds5

About (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95136942) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95136942
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO3S/c1-20-6-7-21-10-2-3-11-12(14-4-5-15(17)22-14)9-16(19)18-13(11)8-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXEZLGFNYZQCLSQ-LBPRGKRZSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one 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

7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958678
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95127170
7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169417340
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
5-[(4S)-7-methylsulfanyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]thiophene-2-carboxylic acid
CID 95128503
7-(4-chlorobutoxy)-4-methyl-3,4-dihydro-1H-quinolin-2-one;tribromoborane
CID 157286478
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50953624
4,11-bis(2-methoxyethoxy)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,16-dione
CID 102495295
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1250110
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 95136942) is (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is COCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(Cl)s1.
What is the InChIKey of (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XEZLGFNYZQCLSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-20-6-7-21-10-2-3-11-12(14-4-5-15(17)22-14)9-16(19)18-13(11)8-10/h2-5,8,12H,6-7,9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.83 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95136942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).