2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one

C22H14N2O2S — CID 143872008

IUPAC2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one
SMILESO=C1CC(c2ccc(C3=Nc4ccccc4C(=O)C3)s2)=Nc2ccccc21
InChIInChI=1S/C22H14N2O2S/c25-19-11-17(23-15-7-3-1-5-13(15)19)21-9-10-22(27-21)18-12-20(26)14-6-2-4-8-16(14)24-18/h1-10H,11-12H2
InChIKeyOCBOCJCJHJMYIA-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.16
Rot. Bonds2

About 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one

2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one (PubChem CID 143872008) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one.

Molecular Properties

Compound Name2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one
PubChem CID143872008
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC Name2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one
SMILESO=C1CC(c2ccc(C3=Nc4ccccc4C(=O)C3)s2)=Nc2ccccc21
InChIInChI=1S/C22H14N2O2S/c25-19-11-17(23-15-7-3-1-5-13(15)19)21-9-10-22(27-21)18-12-20(26)14-6-2-4-8-16(14)24-18/h1-10H,11-12H2
InChIKeyOCBOCJCJHJMYIA-UHFFFAOYSA-N
XLogP5.16
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-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

2-(4-methylsulfonylphenyl)-3H-quinolin-4-one
CID 142639539
4-(5-bromothiophen-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 53026715
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
1H-carbazole-2-carbaldehyde;hydron
CID 174509738
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
benzo[b][1]benzothiocine-10,12-dione
CID 13450297
6-amino-2-(4-aminophenyl)-3H-quinolin-4-one
CID 153186793
6-methyl-2-[5-(4-methylidene-3H-quinolin-2-yl)thiophen-2-yl]-5-(prop-2-enylideneamino)hepta-1,5-dien-4-one
CID 134526845
2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one
CID 66659102
2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one
CID 141223476
2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one
CID 141223475
(3E)-3-hydroxyiminoinden-1-one
CID 6418558

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one?
The IUPAC name of 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one (CID 143872008) is 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one.
What is the SMILES notation for 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one?
The canonical SMILES for 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one is O=C1CC(c2ccc(C3=Nc4ccccc4C(=O)C3)s2)=Nc2ccccc21.
What is the InChIKey of 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one?
The InChIKey is OCBOCJCJHJMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S/c25-19-11-17(23-15-7-3-1-5-13(15)19)21-9-10-22(27-21)18-12-20(26)14-6-2-4-8-16(14)24-18/h1-10H,11-12H2.
What are the key properties of 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one?
2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one has a molecular weight of 370.43 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one is sourced from PubChem (CID 143872008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).