[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

C25H23N5O — CID 42110657

IUPAC[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C25H23N5O/c1-18-6-8-20(9-7-18)22-12-13-24(28-27-22)29-14-16-30(17-15-29)25(31)23-11-10-19-4-2-3-5-21(19)26-23/h2-13H,14-17H2,1H3
InChIKeyHOCHBDWIVBBIBJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.96
Rot. Bonds3

About [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 42110657) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID42110657
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C25H23N5O/c1-18-6-8-20(9-7-18)22-12-13-24(28-27-22)29-14-16-30(17-15-29)25(31)23-11-10-19-4-2-3-5-21(19)26-23/h2-13H,14-17H2,1H3
InChIKeyHOCHBDWIVBBIBJ-UHFFFAOYSA-N
XLogP3.96
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (CID 42110657) is [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)cc1.
What is the InChIKey of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is HOCHBDWIVBBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-18-6-8-20(9-7-18)22-12-13-24(28-27-22)29-14-16-30(17-15-29)25(31)23-11-10-19-4-2-3-5-21(19)26-23/h2-13H,14-17H2,1H3.
What are the key properties of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 409.49 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 42110657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).