[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H21ClN4O — CID 2965490

IUPAC[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H21ClN4O/c26-19-7-5-6-18(16-19)23-17-21(20-8-1-2-9-22(20)28-23)25(31)30-14-12-29(13-15-30)24-10-3-4-11-27-24/h1-11,16-17H,12-15H2
InChIKeyFDCALDHWTLPEDY-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.91
Rot. Bonds3

About [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2965490) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2965490
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H21ClN4O/c26-19-7-5-6-18(16-19)23-17-21(20-8-1-2-9-22(20)28-23)25(31)30-14-12-29(13-15-30)24-10-3-4-11-27-24/h1-11,16-17H,12-15H2
InChIKeyFDCALDHWTLPEDY-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2965490) is [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FDCALDHWTLPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c26-19-7-5-6-18(16-19)23-17-21(20-8-1-2-9-22(20)28-23)25(31)30-14-12-29(13-15-30)24-10-3-4-11-27-24/h1-11,16-17H,12-15H2.
What are the key properties of [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 428.92 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2965490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).