7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one

C13H16N2O3 — CID 175748862

IUPAC7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one
SMILESCOc1cc2c(=O)n(C)ncc2cc1OC(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)18-12-5-9-7-14-15(3)13(16)10(9)6-11(12)17-4/h5-8H,1-4H3
InChIKeyKVKGPYWBFPVUTD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.73
Rot. Bonds3

About 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one

7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one (PubChem CID 175748862) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one
PubChem CID175748862
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one
SMILESCOc1cc2c(=O)n(C)ncc2cc1OC(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)18-12-5-9-7-14-15(3)13(16)10(9)6-11(12)17-4/h5-8H,1-4H3
InChIKeyKVKGPYWBFPVUTD-UHFFFAOYSA-N
XLogP1.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6,7-trimethylphthalazin-1-one
CID 10899398
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
6-bromo-2-methylphthalazin-1-one
CID 71562940
7-methoxy-6-propan-2-yloxynaphthalen-1-amine
CID 11096447
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one
CID 3055905
6-methoxy-7-propan-2-yloxychromen-4-one
CID 134910504
6,7-dimethoxy-2,3-dimethyl-4-propan-2-ylisoquinolin-1-one
CID 165044810
4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one
CID 3048934
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
5-[bis(2-methylpropoxy)phosphinothioyloxy]-4-methoxy-2-methylpyridazin-3-one
CID 3042710

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one?
The IUPAC name of 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one (CID 175748862) is 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one.
What is the SMILES notation for 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one?
The canonical SMILES for 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one is COc1cc2c(=O)n(C)ncc2cc1OC(C)C.
What is the InChIKey of 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one?
The InChIKey is KVKGPYWBFPVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)18-12-5-9-7-14-15(3)13(16)10(9)6-11(12)17-4/h5-8H,1-4H3.
What are the key properties of 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one?
7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one has a molecular weight of 248.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one is sourced from PubChem (CID 175748862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).