7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one

C20H25N3O2 — CID 2985205

IUPAC7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)OCCCNc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-14(2)25-10-6-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,21,22,23)
InChIKeyUZJUMVZEKPOVNK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds7

About 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one

7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2985205) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2985205
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)OCCCNc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-14(2)25-10-6-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,21,22,23)
InChIKeyUZJUMVZEKPOVNK-UHFFFAOYSA-N
XLogP3.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-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 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 2985205) is 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one is CC(C)OCCCNc1ncc2c(n1)CC(c1ccccc1)CC2=O.
What is the InChIKey of 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UZJUMVZEKPOVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)25-10-6-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,21,22,23).
What are the key properties of 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 339.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-(3-propan-2-yloxypropylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2985205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).