cyclopenta[g]quinazolin-2-one

C11H6N2O — CID 87106202

IUPACcyclopenta[g]quinazolin-2-one
SMILESO=C1N=Cc2cc3c(cc2=N1)C=CC=3
InChIInChI=1S/C11H6N2O/c14-11-12-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h1-6H
InChIKeyDTURXEJGOKMUBN-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.67
Rot. Bonds

About cyclopenta[g]quinazolin-2-one

cyclopenta[g]quinazolin-2-one (PubChem CID 87106202) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is cyclopenta[g]quinazolin-2-one.

Molecular Properties

Compound Namecyclopenta[g]quinazolin-2-one
PubChem CID87106202
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Namecyclopenta[g]quinazolin-2-one
SMILESO=C1N=Cc2cc3c(cc2=N1)C=CC=3
InChIInChI=1S/C11H6N2O/c14-11-12-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h1-6H
InChIKeyDTURXEJGOKMUBN-UHFFFAOYSA-N
XLogP0.67
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[g]quinazolin-2-one?
The IUPAC name of cyclopenta[g]quinazolin-2-one (CID 87106202) is cyclopenta[g]quinazolin-2-one.
What is the SMILES notation for cyclopenta[g]quinazolin-2-one?
The canonical SMILES for cyclopenta[g]quinazolin-2-one is O=C1N=Cc2cc3c(cc2=N1)C=CC=3.
What is the InChIKey of cyclopenta[g]quinazolin-2-one?
The InChIKey is DTURXEJGOKMUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c14-11-12-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h1-6H.
What are the key properties of cyclopenta[g]quinazolin-2-one?
cyclopenta[g]quinazolin-2-one has a molecular weight of 182.18 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[g]quinazolin-2-one is sourced from PubChem (CID 87106202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).