3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C13H13N3O — CID 135838143

IUPAC3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCNc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C13H13N3O/c1-14-13-15-10-7-6-8-4-2-3-5-9(8)11(10)12(17)16-13/h2-5H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyQMJPVUCPZIBSGS-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.58
Rot. Bonds1

About 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838143) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838143
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCNc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C13H13N3O/c1-14-13-15-10-7-6-8-4-2-3-5-9(8)11(10)12(17)16-13/h2-5H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyQMJPVUCPZIBSGS-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838143) is 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one is CNc1nc2c(c(=O)[nH]1)-c1ccccc1CC2.
What is the InChIKey of 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is QMJPVUCPZIBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-14-13-15-10-7-6-8-4-2-3-5-9(8)11(10)12(17)16-13/h2-5H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 227.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).