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

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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).