2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one

C20H16N4O — CID 68811992

IUPAC2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one
SMILESCN(c1ccc2ncccc2c1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H16N4O/c1-23(17-9-10-18-16(14-17)8-5-13-21-18)24-20(25)12-11-19(22-24)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyHFWDJSTXAMJOPC-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.36
Rot. Bonds3

About 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one

2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one (PubChem CID 68811992) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one
PubChem CID68811992
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one
SMILESCN(c1ccc2ncccc2c1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H16N4O/c1-23(17-9-10-18-16(14-17)8-5-13-21-18)24-20(25)12-11-19(22-24)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyHFWDJSTXAMJOPC-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one (CID 68811992) is 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one is CN(c1ccc2ncccc2c1)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one?
The InChIKey is HFWDJSTXAMJOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-23(17-9-10-18-16(14-17)8-5-13-21-18)24-20(25)12-11-19(22-24)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one?
2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one has a molecular weight of 328.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-6-yl)amino]-6-phenylpyridazin-3-one is sourced from PubChem (CID 68811992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).