5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one

C24H22FN3O2S — CID 20865318

IUPAC5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c2ccccc21
InChIInChI=1S/C24H22FN3O2S/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
InChIKeyNTJOWKUFXOHNRV-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.34
Rot. Bonds3

About 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one

5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one (PubChem CID 20865318) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
PubChem CID20865318
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c2ccccc21
InChIInChI=1S/C24H22FN3O2S/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
InChIKeyNTJOWKUFXOHNRV-UHFFFAOYSA-N
XLogP4.34
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865301
[4-(4-fluorophenyl)piperazin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 8967208
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46256061

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one (CID 20865318) is 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one is CCn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The InChIKey is NTJOWKUFXOHNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/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 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one has a molecular weight of 435.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20865318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).