3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one

C14H15N3O — CID 135838172

IUPAC3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one
SMILESCC1(C)Cc2nc(N)[nH]c(=O)c2-c2ccccc21
InChIInChI=1S/C14H15N3O/c1-14(2)7-10-11(12(18)17-13(15)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyXGYYLFXUQJGOAU-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.85
Rot. Bonds

About 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one

3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one (PubChem CID 135838172) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one
PubChem CID135838172
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one
SMILESCC1(C)Cc2nc(N)[nH]c(=O)c2-c2ccccc21
InChIInChI=1S/C14H15N3O/c1-14(2)7-10-11(12(18)17-13(15)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyXGYYLFXUQJGOAU-UHFFFAOYSA-N
XLogP1.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-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

Related Compounds

5-ethyl-2-hydrazinyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135415731
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367
3-amino-9-chloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838124
3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838178
3-amino-9-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838179
3-amino-9-iodo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838199
3-amino-9-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838236
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
2-Hydrazinyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135466692
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one (CID 135838172) is 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one is CC1(C)Cc2nc(N)[nH]c(=O)c2-c2ccccc21.
What is the InChIKey of 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one?
The InChIKey is XGYYLFXUQJGOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)7-10-11(12(18)17-13(15)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one?
3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one has a molecular weight of 241.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-2,5-dihydrobenzo[f]quinazolin-1-one is sourced from PubChem (CID 135838172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).