2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one

C25H25N3O2S — CID 20879965

IUPAC2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)sc3c2c1
InChIInChI=1S/C25H25N3O2S/c1-15-7-8-20-18(13-15)23-19(24(29)26-20)14-22(31-23)25(30)28-11-9-27(10-12-28)21-6-4-5-16(2)17(21)3/h4-8,13-14H,9-12H2,1-3H3,(H,26,29)
InChIKeyCERXZKRRVUYFPP-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.63
Rot. Bonds2

About 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one

2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one (PubChem CID 20879965) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
PubChem CID20879965
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)sc3c2c1
InChIInChI=1S/C25H25N3O2S/c1-15-7-8-20-18(13-15)23-19(24(29)26-20)14-22(31-23)25(30)28-11-9-27(10-12-28)21-6-4-5-16(2)17(21)3/h4-8,13-14H,9-12H2,1-3H3,(H,26,29)
InChIKeyCERXZKRRVUYFPP-UHFFFAOYSA-N
XLogP4.63
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]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

8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 126458329
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 25408411
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136832045
2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-5H-thieno[3,2-c]quinolin-4-one
CID 20855958
N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
CID 136536307
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one (CID 20879965) is 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one is Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)sc3c2c1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The InChIKey is CERXZKRRVUYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-15-7-8-20-18(13-15)23-19(24(29)26-20)14-22(31-23)25(30)28-11-9-27(10-12-28)21-6-4-5-16(2)17(21)3/h4-8,13-14H,9-12H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one has a molecular weight of 431.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20879965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).