3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone

C15H14N2O3 — CID 103373276

IUPAC3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2OCCC3)nn1
InChIInChI=1S/C15H14N2O3/c1-19-13-8-7-12(16-17-13)14(18)11-6-2-4-10-5-3-9-20-15(10)11/h2,4,6-8H,3,5,9H2,1H3
InChIKeyDTRMUJQJZQXKLG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.04
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone

3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone (PubChem CID 103373276) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
PubChem CID103373276
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2OCCC3)nn1
InChIInChI=1S/C15H14N2O3/c1-19-13-8-7-12(16-17-13)14(18)11-6-2-4-10-5-3-9-20-15(10)11/h2,4,6-8H,3,5,9H2,1H3
InChIKeyDTRMUJQJZQXKLG-UHFFFAOYSA-N
XLogP2.04
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
CID 105133667
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114744280
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone (CID 103373276) is 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2cccc3c2OCCC3)nn1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is DTRMUJQJZQXKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-13-8-7-12(16-17-13)14(18)11-6-2-4-10-5-3-9-20-15(10)11/h2,4,6-8H,3,5,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone?
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 270.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 103373276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).