5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one

C15H14N4O — CID 103218481

IUPAC5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(Cc2ccnc3ccccc23)c(=O)c1
InChIInChI=1S/C15H14N4O/c1-16-12-8-15(20)19(18-9-12)10-11-6-7-17-14-5-3-2-4-13(11)14/h2-9,16H,10H2,1H3
InChIKeyGVPVBAJVCYNVEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.88
Rot. Bonds3

About 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one

5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one (PubChem CID 103218481) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
PubChem CID103218481
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(Cc2ccnc3ccccc23)c(=O)c1
InChIInChI=1S/C15H14N4O/c1-16-12-8-15(20)19(18-9-12)10-11-6-7-17-14-5-3-2-4-13(11)14/h2-9,16H,10H2,1H3
InChIKeyGVPVBAJVCYNVEJ-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one
CID 106549050
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855
3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218655
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
CID 79241293
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one (CID 103218481) is 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one is CNc1cnn(Cc2ccnc3ccccc23)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one?
The InChIKey is GVPVBAJVCYNVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-12-8-15(20)19(18-9-12)10-11-6-7-17-14-5-3-2-4-13(11)14/h2-9,16H,10H2,1H3.
What are the key properties of 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one?
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one has a molecular weight of 266.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).