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

C23H21N3O2S — CID 15987691

IUPAC8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3c2c1
InChIInChI=1S/C23H21N3O2S/c1-15-7-8-19-17(13-15)21-18(22(27)24-19)14-20(29-21)23(28)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyGVGXPYMQGSPIQA-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.01
Rot. Bonds2

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

8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one (PubChem CID 15987691) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
PubChem CID15987691
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3c2c1
InChIInChI=1S/C23H21N3O2S/c1-15-7-8-19-17(13-15)21-18(22(27)24-19)14-20(29-21)23(28)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyGVGXPYMQGSPIQA-UHFFFAOYSA-N
XLogP4.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one with MolForge

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 20879965
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 126458329
2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-5H-thieno[3,2-c]quinolin-4-one
CID 20855958
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
8-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one
CID 46256198
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429593

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one?
The IUPAC name of 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one (CID 15987691) is 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one is Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3c2c1.
What is the InChIKey of 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one?
The InChIKey is GVGXPYMQGSPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-7-8-19-17(13-15)21-18(22(27)24-19)14-20(29-21)23(28)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,24,27).
What are the key properties of 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one?
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one has a molecular weight of 403.51 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 15987691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).