[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone

C23H20ClN3O2S — CID 15990464

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc2c1
InChIInChI=1S/C23H20ClN3O2S/c1-29-19-6-5-15-11-16-12-21(30-22(16)25-20(15)14-19)23(28)27-9-7-26(8-10-27)18-4-2-3-17(24)13-18/h2-6,11-14H,7-10H2,1H3
InChIKeyIIBPSGSHZXFKDA-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.07
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone (PubChem CID 15990464) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone
PubChem CID15990464
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc2c1
InChIInChI=1S/C23H20ClN3O2S/c1-29-19-6-5-15-11-16-12-21(30-22(16)25-20(15)14-19)23(28)27-9-7-26(8-10-27)18-4-2-3-17(24)13-18/h2-6,11-14H,7-10H2,1H3
InChIKeyIIBPSGSHZXFKDA-UHFFFAOYSA-N
XLogP5.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone (CID 15990464) is [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone is COc1ccc2cc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc2c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone?
The InChIKey is IIBPSGSHZXFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-29-19-6-5-15-11-16-12-21(30-22(16)25-20(15)14-19)23(28)27-9-7-26(8-10-27)18-4-2-3-17(24)13-18/h2-6,11-14H,7-10H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone has a molecular weight of 437.95 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 15990464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).