4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine

C15H12ClN3O — CID 79711455

IUPAC4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine
SMILESCOc1cc(-c2nnc(N)c3ccccc23)ccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-20-13-8-9(6-7-12(13)16)14-10-4-2-3-5-11(10)15(17)19-18-14/h2-8H,1H3,(H2,17,19)
InChIKeyVPJOAAAIUZPAEP-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.54
Rot. Bonds2

About 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine

4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine (PubChem CID 79711455) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine
PubChem CID79711455
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine
SMILESCOc1cc(-c2nnc(N)c3ccccc23)ccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-20-13-8-9(6-7-12(13)16)14-10-4-2-3-5-11(10)15(17)19-18-14/h2-8H,1H3,(H2,17,19)
InChIKeyVPJOAAAIUZPAEP-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine (CID 79711455) is 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine is COc1cc(-c2nnc(N)c3ccccc23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine?
The InChIKey is VPJOAAAIUZPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-20-13-8-9(6-7-12(13)16)14-10-4-2-3-5-11(10)15(17)19-18-14/h2-8H,1H3,(H2,17,19).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine?
4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine has a molecular weight of 285.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 79711455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).