2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one

C19H21N3O — CID 82168013

IUPAC2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one
SMILESCc1ccc(-c2nn(C(C)CN)c(=O)c3ccccc23)cc1C
InChIInChI=1S/C19H21N3O/c1-12-8-9-15(10-13(12)2)18-16-6-4-5-7-17(16)19(23)22(21-18)14(3)11-20/h4-10,14H,11,20H2,1-3H3
InChIKeyPERBVCNSFSISNI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.20
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one

2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one (PubChem CID 82168013) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one
PubChem CID82168013
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one
SMILESCc1ccc(-c2nn(C(C)CN)c(=O)c3ccccc23)cc1C
InChIInChI=1S/C19H21N3O/c1-12-8-9-15(10-13(12)2)18-16-6-4-5-7-17(16)19(23)22(21-18)14(3)11-20/h4-10,14H,11,20H2,1-3H3
InChIKeyPERBVCNSFSISNI-UHFFFAOYSA-N
XLogP3.20
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one (CID 82168013) is 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one is Cc1ccc(-c2nn(C(C)CN)c(=O)c3ccccc23)cc1C.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one?
The InChIKey is PERBVCNSFSISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-8-9-15(10-13(12)2)18-16-6-4-5-7-17(16)19(23)22(21-18)14(3)11-20/h4-10,14H,11,20H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one?
2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one is sourced from PubChem (CID 82168013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).