2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one

C15H13N3O — CID 145260221

IUPAC2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
SMILESCc1cc(-c2cnc3ccccc3c2)nn(C)c1=O
InChIInChI=1S/C15H13N3O/c1-10-7-14(17-18(2)15(10)19)12-8-11-5-3-4-6-13(11)16-9-12/h3-9H,1-2H3
InChIKeyJMRYTZSMSJHHPT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.30
Rot. Bonds1

About 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one

2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one (PubChem CID 145260221) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
PubChem CID145260221
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
SMILESCc1cc(-c2cnc3ccccc3c2)nn(C)c1=O
InChIInChI=1S/C15H13N3O/c1-10-7-14(17-18(2)15(10)19)12-8-11-5-3-4-6-13(11)16-9-12/h3-9H,1-2H3
InChIKeyJMRYTZSMSJHHPT-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
3-methyl-5-quinolin-3-yl-1H-pyridin-2-one
CID 83128882
5,6-dimethyl-3-quinolin-3-yl-1H-pyrazin-2-one
CID 106513767
3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 170293992
5-hydroxy-1-methyl-3-(4-quinolin-3-ylphenyl)imidazolidine-2,4-dione
CID 141057904
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
3-methyl-4-quinolin-3-ylbenzaldehyde
CID 81447397
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
2-quinolin-3-yl-1H-pyrimidin-6-one
CID 112754148
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
4-quinolin-3-yloxadiazole
CID 91189837

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one?
The IUPAC name of 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one (CID 145260221) is 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one is Cc1cc(-c2cnc3ccccc3c2)nn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one?
The InChIKey is JMRYTZSMSJHHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-14(17-18(2)15(10)19)12-8-11-5-3-4-6-13(11)16-9-12/h3-9H,1-2H3.
What are the key properties of 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one?
2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one is sourced from PubChem (CID 145260221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).