1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone

C24H20ClN3O2S — CID 46256111

IUPAC1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(Cl)nc5ccccc5c4s3)CC2)cc1
InChIInChI=1S/C24H20ClN3O2S/c1-15(29)16-6-8-17(9-7-16)27-10-12-28(13-11-27)24(30)21-14-19-22(31-21)18-4-2-3-5-20(18)26-23(19)25/h2-9,14H,10-13H2,1H3
InChIKeyNOKDWRIRXJSCTP-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.27
Rot. Bonds3

About 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 46256111) has the molecular formula C24H20ClN3O2S and a molecular weight of 449.96 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID46256111
Molecular FormulaC24H20ClN3O2S
Molecular Weight449.96 g/mol
Exact Mass449.10
IUPAC Name1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(Cl)nc5ccccc5c4s3)CC2)cc1
InChIInChI=1S/C24H20ClN3O2S/c1-15(29)16-6-8-17(9-7-16)27-10-12-28(13-11-27)24(30)21-14-19-22(31-21)18-4-2-3-5-20(18)26-23(19)25/h2-9,14H,10-13H2,1H3
InChIKeyNOKDWRIRXJSCTP-UHFFFAOYSA-N
XLogP5.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46256061
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46256029
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6622462
1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 1245042
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4168621
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
1-[4-[4-(2-bromo-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167770167
1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 6733703
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
(5-bromobenzo[g][1]benzothiol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 166137418
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 46256111) is 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(Cl)nc5ccccc5c4s3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is NOKDWRIRXJSCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2S/c1-15(29)16-6-8-17(9-7-16)27-10-12-28(13-11-27)24(30)21-14-19-22(31-21)18-4-2-3-5-20(18)26-23(19)25/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 449.96 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorothieno[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 46256111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).