3H-benzo[g]quinazolin-4-one

C12H8N2O — CID 135518939

IUPAC3H-benzo[g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3ccccc3cc12
InChIInChI=1S/C12H8N2O/c15-12-10-5-8-3-1-2-4-9(8)6-11(10)13-7-14-12/h1-7H,(H,13,14,15)
InChIKeyDNFQXWHQGPGKGQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 3H-benzo[g]quinazolin-4-one

3H-benzo[g]quinazolin-4-one (PubChem CID 135518939) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3H-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3H-benzo[g]quinazolin-4-one
PubChem CID135518939
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name3H-benzo[g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3ccccc3cc12
InChIInChI=1S/C12H8N2O/c15-12-10-5-8-3-1-2-4-9(8)6-11(10)13-7-14-12/h1-7H,(H,13,14,15)
InChIKeyDNFQXWHQGPGKGQ-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3H-benzo[g]quinazolin-4-one?
The IUPAC name of 3H-benzo[g]quinazolin-4-one (CID 135518939) is 3H-benzo[g]quinazolin-4-one.
What is the SMILES notation for 3H-benzo[g]quinazolin-4-one?
The canonical SMILES for 3H-benzo[g]quinazolin-4-one is O=c1[nH]cnc2cc3ccccc3cc12.
What is the InChIKey of 3H-benzo[g]quinazolin-4-one?
The InChIKey is DNFQXWHQGPGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-12-10-5-8-3-1-2-4-9(8)6-11(10)13-7-14-12/h1-7H,(H,13,14,15).
What are the key properties of 3H-benzo[g]quinazolin-4-one?
3H-benzo[g]quinazolin-4-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[g]quinazolin-4-one is sourced from PubChem (CID 135518939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).