3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C15H17N3O3 — CID 60958471

IUPAC3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc2c1N(C(=O)C1=NNC(=O)CC1)CCC2
InChIInChI=1S/C15H17N3O3/c1-21-12-6-2-4-10-5-3-9-18(14(10)12)15(20)11-7-8-13(19)17-16-11/h2,4,6H,3,5,7-9H2,1H3,(H,17,19)
InChIKeyNLQKVQYXOCNSGN-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.24
Rot. Bonds2

About 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 60958471) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID60958471
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc2c1N(C(=O)C1=NNC(=O)CC1)CCC2
InChIInChI=1S/C15H17N3O3/c1-21-12-6-2-4-10-5-3-9-18(14(10)12)15(20)11-7-8-13(19)17-16-11/h2,4,6H,3,5,7-9H2,1H3,(H,17,19)
InChIKeyNLQKVQYXOCNSGN-UHFFFAOYSA-N
XLogP1.24
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 43066680
5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55632538
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 48575972
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 99811747
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 60958471) is 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is COc1cccc2c1N(C(=O)C1=NNC(=O)CC1)CCC2.
What is the InChIKey of 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NLQKVQYXOCNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-12-6-2-4-10-5-3-9-18(14(10)12)15(20)11-7-8-13(19)17-16-11/h2,4,6H,3,5,7-9H2,1H3,(H,17,19).
What are the key properties of 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 287.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 60958471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).