2-cyclopropyl-8-methyl-3H-quinazolin-4-one

C12H12N2O — CID 137201441

IUPAC2-cyclopropyl-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(C3CC3)nc12
InChIInChI=1S/C12H12N2O/c1-7-3-2-4-9-10(7)13-11(8-5-6-8)14-12(9)15/h2-4,8H,5-6H2,1H3,(H,13,14,15)
InChIKeyFKYOBVGVZASVLB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.11
Rot. Bonds1

About 2-cyclopropyl-8-methyl-3H-quinazolin-4-one

2-cyclopropyl-8-methyl-3H-quinazolin-4-one (PubChem CID 137201441) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyclopropyl-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-8-methyl-3H-quinazolin-4-one
PubChem CID137201441
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-cyclopropyl-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(C3CC3)nc12
InChIInChI=1S/C12H12N2O/c1-7-3-2-4-9-10(7)13-11(8-5-6-8)14-12(9)15/h2-4,8H,5-6H2,1H3,(H,13,14,15)
InChIKeyFKYOBVGVZASVLB-UHFFFAOYSA-N
XLogP2.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-8-methyl-3H-quinazolin-4-one (CID 137201441) is 2-cyclopropyl-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-8-methyl-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-8-methyl-3H-quinazolin-4-one?
The InChIKey is FKYOBVGVZASVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-3-2-4-9-10(7)13-11(8-5-6-8)14-12(9)15/h2-4,8H,5-6H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-8-methyl-3H-quinazolin-4-one?
2-cyclopropyl-8-methyl-3H-quinazolin-4-one has a molecular weight of 200.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 137201441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).