9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C13H11BrN2O — CID 135838117

IUPAC9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2
InChIInChI=1S/C13H11BrN2O/c1-7-15-11-5-3-8-2-4-9(14)6-10(8)12(11)13(17)16-7/h2,4,6H,3,5H2,1H3,(H,15,16,17)
InChIKeyANTGTJFDKIMDSI-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.61
Rot. Bonds

About 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838117) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838117
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2
InChIInChI=1S/C13H11BrN2O/c1-7-15-11-5-3-8-2-4-9(14)6-10(8)12(11)13(17)16-7/h2,4,6H,3,5H2,1H3,(H,15,16,17)
InChIKeyANTGTJFDKIMDSI-UHFFFAOYSA-N
XLogP2.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838117) is 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is Cc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2.
What is the InChIKey of 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is ANTGTJFDKIMDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-7-15-11-5-3-8-2-4-9(14)6-10(8)12(11)13(17)16-7/h2,4,6H,3,5H2,1H3,(H,15,16,17).
What are the key properties of 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 291.15 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).