2-ethyl-6,7-dimethoxyphthalazin-1-one

C12H14N2O3 — CID 125457648

IUPAC2-ethyl-6,7-dimethoxyphthalazin-1-one
SMILESCCn1ncc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C12H14N2O3/c1-4-14-12(15)9-6-11(17-3)10(16-2)5-8(9)7-13-14/h5-7H,4H2,1-3H3
InChIKeySNTQXDZVVAQVJV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.43
Rot. Bonds3

About 2-ethyl-6,7-dimethoxyphthalazin-1-one

2-ethyl-6,7-dimethoxyphthalazin-1-one (PubChem CID 125457648) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-ethyl-6,7-dimethoxyphthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-6,7-dimethoxyphthalazin-1-one
PubChem CID125457648
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-ethyl-6,7-dimethoxyphthalazin-1-one
SMILESCCn1ncc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C12H14N2O3/c1-4-14-12(15)9-6-11(17-3)10(16-2)5-8(9)7-13-14/h5-7H,4H2,1-3H3
InChIKeySNTQXDZVVAQVJV-UHFFFAOYSA-N
XLogP1.43
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166126408
N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide
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4-[(4-chloro-1-ethylpyrazolo[3,4-b]pyridin-5-yl)methyl]-6,7-dimethoxyisoquinoline;dihydrochloride
CID 74539415
2-ethyl-8-hydroxyphthalazin-1-one
CID 125455301
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
6-methyl-2-propylphthalazin-1-one
CID 170390564
6-methoxy-2-(2-methylsulfonylethyl)phthalazin-1-one
CID 156767516
2-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]phthalazin-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dimethoxyphthalazin-1-one?
The IUPAC name of 2-ethyl-6,7-dimethoxyphthalazin-1-one (CID 125457648) is 2-ethyl-6,7-dimethoxyphthalazin-1-one.
What is the SMILES notation for 2-ethyl-6,7-dimethoxyphthalazin-1-one?
The canonical SMILES for 2-ethyl-6,7-dimethoxyphthalazin-1-one is CCn1ncc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 2-ethyl-6,7-dimethoxyphthalazin-1-one?
The InChIKey is SNTQXDZVVAQVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-14-12(15)9-6-11(17-3)10(16-2)5-8(9)7-13-14/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-6,7-dimethoxyphthalazin-1-one?
2-ethyl-6,7-dimethoxyphthalazin-1-one has a molecular weight of 234.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dimethoxyphthalazin-1-one is sourced from PubChem (CID 125457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).