4-cyclopropyl-3H-quinazolin-2-one

C11H10N2O — CID 54258117

IUPAC4-cyclopropyl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CC2)[nH]1
InChIInChI=1S/C11H10N2O/c14-11-12-9-4-2-1-3-8(9)10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyRBMSPXIHEABQMN-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.80
Rot. Bonds1

About 4-cyclopropyl-3H-quinazolin-2-one

4-cyclopropyl-3H-quinazolin-2-one (PubChem CID 54258117) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-cyclopropyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-3H-quinazolin-2-one
PubChem CID54258117
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-cyclopropyl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CC2)[nH]1
InChIInChI=1S/C11H10N2O/c14-11-12-9-4-2-1-3-8(9)10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyRBMSPXIHEABQMN-UHFFFAOYSA-N
XLogP1.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3H-quinazolin-2-one?
The IUPAC name of 4-cyclopropyl-3H-quinazolin-2-one (CID 54258117) is 4-cyclopropyl-3H-quinazolin-2-one.
What is the SMILES notation for 4-cyclopropyl-3H-quinazolin-2-one?
The canonical SMILES for 4-cyclopropyl-3H-quinazolin-2-one is O=c1nc2ccccc2c(C2CC2)[nH]1.
What is the InChIKey of 4-cyclopropyl-3H-quinazolin-2-one?
The InChIKey is RBMSPXIHEABQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-12-9-4-2-1-3-8(9)10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14).
What are the key properties of 4-cyclopropyl-3H-quinazolin-2-one?
4-cyclopropyl-3H-quinazolin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3H-quinazolin-2-one is sourced from PubChem (CID 54258117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).