(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone

C23H24ClN3O2 — CID 45269550

IUPAC(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-20-6-4-18(5-7-20)23(28)27-14-12-26(13-15-27)11-2-16-29-21-8-9-22-19(17-21)3-1-10-25-22/h1,3-10,17H,2,11-16H2
InChIKeyOIBYGWIFWKSTGI-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.12
Rot. Bonds6

About (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone (PubChem CID 45269550) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
PubChem CID45269550
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-20-6-4-18(5-7-20)23(28)27-14-12-26(13-15-27)11-2-16-29-21-8-9-22-19(17-21)3-1-10-25-22/h1,3-10,17H,2,11-16H2
InChIKeyOIBYGWIFWKSTGI-UHFFFAOYSA-N
XLogP4.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone (CID 45269550) is (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The InChIKey is OIBYGWIFWKSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-20-6-4-18(5-7-20)23(28)27-14-12-26(13-15-27)11-2-16-29-21-8-9-22-19(17-21)3-1-10-25-22/h1,3-10,17H,2,11-16H2.
What are the key properties of (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone has a molecular weight of 409.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 45269550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).