3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C13H13N3O2 — CID 135838196

IUPAC3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCOc1ccc2c(c1)CCc1nc(N)[nH]c(=O)c1-2
InChIInChI=1S/C13H13N3O2/c1-18-8-3-4-9-7(6-8)2-5-10-11(9)12(17)16-13(14)15-10/h3-4,6H,2,5H2,1H3,(H3,14,15,16,17)
InChIKeyVPJCIIJTFSDDJU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.13
Rot. Bonds1

About 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838196) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838196
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCOc1ccc2c(c1)CCc1nc(N)[nH]c(=O)c1-2
InChIInChI=1S/C13H13N3O2/c1-18-8-3-4-9-7(6-8)2-5-10-11(9)12(17)16-13(14)15-10/h3-4,6H,2,5H2,1H3,(H3,14,15,16,17)
InChIKeyVPJCIIJTFSDDJU-UHFFFAOYSA-N
XLogP1.13
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838196) is 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one is COc1ccc2c(c1)CCc1nc(N)[nH]c(=O)c1-2.
What is the InChIKey of 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is VPJCIIJTFSDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-8-3-4-9-7(6-8)2-5-10-11(9)12(17)16-13(14)15-10/h3-4,6H,2,5H2,1H3,(H3,14,15,16,17).
What are the key properties of 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 243.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methoxy-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).