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

C15H15N3O2 — CID 110662902

IUPAC3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1Cc2ccccc2N(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-13(11)18(9-10)15(20)12-6-7-14(19)17-16-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDMYJYRVKIYYQNN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.61
Rot. Bonds1

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

3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110662902) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110662902
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1Cc2ccccc2N(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-13(11)18(9-10)15(20)12-6-7-14(19)17-16-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDMYJYRVKIYYQNN-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
3-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridazin-6-one
CID 110750155
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373099
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66381388

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (CID 110662902) is 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is CC1Cc2ccccc2N(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is DMYJYRVKIYYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-11-4-2-3-5-13(11)18(9-10)15(20)12-6-7-14(19)17-16-12/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of 3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 269.30 g/mol, XLogP of 1.61, 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-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110662902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).