1-chloro-7-methoxyphthalazine

C9H7ClN2O — CID 15271578

IUPAC1-chloro-7-methoxyphthalazine
SMILESCOc1ccc2cnnc(Cl)c2c1
InChIInChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3
InChIKeySLDSSDJHOPSSSK-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.29
Rot. Bonds1

About 1-chloro-7-methoxyphthalazine

1-chloro-7-methoxyphthalazine (PubChem CID 15271578) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-chloro-7-methoxyphthalazine.

Molecular Properties

Compound Name1-chloro-7-methoxyphthalazine
PubChem CID15271578
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1-chloro-7-methoxyphthalazine
SMILESCOc1ccc2cnnc(Cl)c2c1
InChIInChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3
InChIKeySLDSSDJHOPSSSK-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-7-methoxyphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-dimethoxyphthalazine
CID 119093543
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946
3-chloro-7-methoxyisoquinoline
CID 53425565
6-methoxyphthalazin-1-amine
CID 130119690
3-chloro-6-methoxyisoquinoline
CID 53407774
1-chloro-3,4-difluoro-6-methoxyisoquinoline
CID 174525787
4,6-dimethoxycinnoline
CID 134989956
2-chloro-7-methoxyquinazoline
CID 55251455
3-fluoro-7-methoxyisoquinoline
CID 131700060
4-bromo-6-methoxycinnoline
CID 53415017
4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
CID 86612224
1,3,7-trimethoxynaphthalene
CID 102088907

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxyphthalazine?
The IUPAC name of 1-chloro-7-methoxyphthalazine (CID 15271578) is 1-chloro-7-methoxyphthalazine.
What is the SMILES notation for 1-chloro-7-methoxyphthalazine?
The canonical SMILES for 1-chloro-7-methoxyphthalazine is COc1ccc2cnnc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methoxyphthalazine?
The InChIKey is SLDSSDJHOPSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3.
What are the key properties of 1-chloro-7-methoxyphthalazine?
1-chloro-7-methoxyphthalazine has a molecular weight of 194.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxyphthalazine is sourced from PubChem (CID 15271578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).