2-methyl-5aH-benzo[g]quinazolin-4-one

C13H10N2O — CID 76845217

IUPAC2-methyl-5aH-benzo[g]quinazolin-4-one
SMILESCC1=NC(=O)C2=CC3C=CC=CC3=CC2=N1
InChIInChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7,9H,1H3
InChIKeyQUZVERPYNCSLQT-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.99
Rot. Bonds

About 2-methyl-5aH-benzo[g]quinazolin-4-one

2-methyl-5aH-benzo[g]quinazolin-4-one (PubChem CID 76845217) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-5aH-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-5aH-benzo[g]quinazolin-4-one
PubChem CID76845217
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-methyl-5aH-benzo[g]quinazolin-4-one
SMILESCC1=NC(=O)C2=CC3C=CC=CC3=CC2=N1
InChIInChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7,9H,1H3
InChIKeyQUZVERPYNCSLQT-UHFFFAOYSA-N
XLogP1.99
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3aH-indene-2-carboxylate
CID 43811245
2-ethyl-3aH-indene
CID 23399067
2-(3aH-inden-2-yl)pyridine;ethane
CID 91435728
3-(dimethylamino)-8aH-isoquinolin-1-one
CID 85436883
2-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 71773243
2-(2-methylsulfanylphenyl)-3aH-indene
CID 155004155
4-methyl-8aH-phthalazin-1-one
CID 57273587
dimethyl-bis(2-methyl-3aH-inden-1-yl)silane
CID 20725133
2,3-dimethyl-1,8a-dihydronaphthalene
CID 143243652
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830
ethane;6-methyl-7aH-inden-5-ol
CID 143778579
3-(3aH-inden-2-ylmethyl)-1H-pyrrole
CID 140974375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5aH-benzo[g]quinazolin-4-one?
The IUPAC name of 2-methyl-5aH-benzo[g]quinazolin-4-one (CID 76845217) is 2-methyl-5aH-benzo[g]quinazolin-4-one.
What is the SMILES notation for 2-methyl-5aH-benzo[g]quinazolin-4-one?
The canonical SMILES for 2-methyl-5aH-benzo[g]quinazolin-4-one is CC1=NC(=O)C2=CC3C=CC=CC3=CC2=N1.
What is the InChIKey of 2-methyl-5aH-benzo[g]quinazolin-4-one?
The InChIKey is QUZVERPYNCSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7,9H,1H3.
What are the key properties of 2-methyl-5aH-benzo[g]quinazolin-4-one?
2-methyl-5aH-benzo[g]quinazolin-4-one has a molecular weight of 210.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5aH-benzo[g]quinazolin-4-one is sourced from PubChem (CID 76845217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).