4-amino-2-benzyl-7-chlorophthalazin-1-one

C15H12ClN3O — CID 71763827

IUPAC4-amino-2-benzyl-7-chlorophthalazin-1-one
SMILESNc1nn(Cc2ccccc2)c(=O)c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c16-11-6-7-12-13(8-11)15(20)19(18-14(12)17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18)
InChIKeyRULQKWFUBAEPDL-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.68
Rot. Bonds2

About 4-amino-2-benzyl-7-chlorophthalazin-1-one

4-amino-2-benzyl-7-chlorophthalazin-1-one (PubChem CID 71763827) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-amino-2-benzyl-7-chlorophthalazin-1-one.

Molecular Properties

Compound Name4-amino-2-benzyl-7-chlorophthalazin-1-one
PubChem CID71763827
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-amino-2-benzyl-7-chlorophthalazin-1-one
SMILESNc1nn(Cc2ccccc2)c(=O)c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c16-11-6-7-12-13(8-11)15(20)19(18-14(12)17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18)
InChIKeyRULQKWFUBAEPDL-UHFFFAOYSA-N
XLogP2.68
TPSA60.91 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110171164
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CID 43381349
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CID 22609425
thiophen-2-yl N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxophthalazin-1-yl)methyl]carbamate
CID 69381626
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
2-benzyl-8-chloro-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
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CID 3772206
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-7-chlorophthalazin-1-one?
The IUPAC name of 4-amino-2-benzyl-7-chlorophthalazin-1-one (CID 71763827) is 4-amino-2-benzyl-7-chlorophthalazin-1-one.
What is the SMILES notation for 4-amino-2-benzyl-7-chlorophthalazin-1-one?
The canonical SMILES for 4-amino-2-benzyl-7-chlorophthalazin-1-one is Nc1nn(Cc2ccccc2)c(=O)c2cc(Cl)ccc12.
What is the InChIKey of 4-amino-2-benzyl-7-chlorophthalazin-1-one?
The InChIKey is RULQKWFUBAEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-6-7-12-13(8-11)15(20)19(18-14(12)17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18).
What are the key properties of 4-amino-2-benzyl-7-chlorophthalazin-1-one?
4-amino-2-benzyl-7-chlorophthalazin-1-one has a molecular weight of 285.73 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-7-chlorophthalazin-1-one is sourced from PubChem (CID 71763827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).