benzimidazolo[4,5-h]quinolin-2-one

C14H7N3O — CID 67327587

IUPACbenzimidazolo[4,5-h]quinolin-2-one
SMILESO=C1N=c2ccc3c(ccc4cccnc43)c2=N1
InChIInChI=1S/C14H7N3O/c18-14-16-11-6-5-9-10(13(11)17-14)4-3-8-2-1-7-15-12(8)9/h1-7H
InChIKeyAQGAIYWZBBFQDH-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.76
Rot. Bonds

About benzimidazolo[4,5-h]quinolin-2-one

benzimidazolo[4,5-h]quinolin-2-one (PubChem CID 67327587) has the molecular formula C14H7N3O and a molecular weight of 233.23 g/mol. Its IUPAC name is benzimidazolo[4,5-h]quinolin-2-one.

Molecular Properties

Compound Namebenzimidazolo[4,5-h]quinolin-2-one
PubChem CID67327587
Molecular FormulaC14H7N3O
Molecular Weight233.23 g/mol
Exact Mass233.06
IUPAC Namebenzimidazolo[4,5-h]quinolin-2-one
SMILESO=C1N=c2ccc3c(ccc4cccnc43)c2=N1
InChIInChI=1S/C14H7N3O/c18-14-16-11-6-5-9-10(13(11)17-14)4-3-8-2-1-7-15-12(8)9/h1-7H
InChIKeyAQGAIYWZBBFQDH-UHFFFAOYSA-N
XLogP1.76
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[4,5-h]quinolin-2-one?
The IUPAC name of benzimidazolo[4,5-h]quinolin-2-one (CID 67327587) is benzimidazolo[4,5-h]quinolin-2-one.
What is the SMILES notation for benzimidazolo[4,5-h]quinolin-2-one?
The canonical SMILES for benzimidazolo[4,5-h]quinolin-2-one is O=C1N=c2ccc3c(ccc4cccnc43)c2=N1.
What is the InChIKey of benzimidazolo[4,5-h]quinolin-2-one?
The InChIKey is AQGAIYWZBBFQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O/c18-14-16-11-6-5-9-10(13(11)17-14)4-3-8-2-1-7-15-12(8)9/h1-7H.
What are the key properties of benzimidazolo[4,5-h]quinolin-2-one?
benzimidazolo[4,5-h]quinolin-2-one has a molecular weight of 233.23 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[4,5-h]quinolin-2-one is sourced from PubChem (CID 67327587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).