2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one

C24H22ClN3O2S — CID 20865373

IUPAC2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc2c2ccccc21
InChIInChI=1S/C24H22ClN3O2S/c1-2-28-20-6-4-3-5-18(20)22-19(23(28)29)15-21(31-22)24(30)27-13-11-26(12-14-27)17-9-7-16(25)8-10-17/h3-10,15H,2,11-14H2,1H3
InChIKeyVJTDJSXILORYCM-UHFFFAOYSA-N
MW451.98 g/mol
LogP4.85
Rot. Bonds3

About 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one

2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one (PubChem CID 20865373) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
PubChem CID20865373
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC Name2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc2c2ccccc21
InChIInChI=1S/C24H22ClN3O2S/c1-2-28-20-6-4-3-5-18(20)22-19(23(28)29)15-21(31-22)24(30)27-13-11-26(12-14-27)17-9-7-16(25)8-10-17/h3-10,15H,2,11-14H2,1H3
InChIKeyVJTDJSXILORYCM-UHFFFAOYSA-N
XLogP4.85
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one with MolForge

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Related Compounds

5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865301
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46256061
1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46256111
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 95754456
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
CID 50808145
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622369
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one (CID 20865373) is 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one is CCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc2c2ccccc21.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one?
The InChIKey is VJTDJSXILORYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-2-28-20-6-4-3-5-18(20)22-19(23(28)29)15-21(31-22)24(30)27-13-11-26(12-14-27)17-9-7-16(25)8-10-17/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one?
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one has a molecular weight of 451.98 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20865373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).