3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one

C15H15N3O2 — CID 110750155

IUPAC3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
SMILESCC1Cc2ccccc2CN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-12(11)9-18(10)15(20)13-6-7-14(19)17-16-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyVQHKAGKNEYTMRS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.36
Rot. Bonds1

About 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one

3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one (PubChem CID 110750155) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
PubChem CID110750155
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
SMILESCC1Cc2ccccc2CN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-12(11)9-18(10)15(20)13-6-7-14(19)17-16-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyVQHKAGKNEYTMRS-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810525
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
(3-aminophenyl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124612184
[4-(aminomethyl)phenyl]-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 141381510
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
CID 103604024
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 127245242
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one (CID 110750155) is 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one is CC1Cc2ccccc2CN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one?
The InChIKey is VQHKAGKNEYTMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-12(11)9-18(10)15(20)13-6-7-14(19)17-16-13/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one?
3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one has a molecular weight of 269.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110750155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).