(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C19H19N5O — CID 75373203

IUPAC(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1
InChIInChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3
InChIKeyVIGVLAFJQDPRMA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.30
Rot. Bonds2

About (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 75373203) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID75373203
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1
InChIInChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3
InChIKeyVIGVLAFJQDPRMA-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 75373203) is (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is Cc1ccc2cccc(C(=O)N3CCN(c4cccnn4)CC3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is VIGVLAFJQDPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-7-8-15-4-2-5-16(18(15)21-14)19(25)24-12-10-23(11-13-24)17-6-3-9-20-22-17/h2-9H,10-13H2,1H3.
What are the key properties of (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 75373203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).