3-propylquinazolin-4-one

C11H12N2O — CID 529124

IUPAC3-propylquinazolin-4-one
SMILESCCCn1cnc2ccccc2c1=O
InChIInChI=1S/C11H12N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h3-6,8H,2,7H2,1H3
InChIKeyXUULXKORCSQLNN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.81
Rot. Bonds2

About 3-propylquinazolin-4-one

3-propylquinazolin-4-one (PubChem CID 529124) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-propylquinazolin-4-one.

Molecular Properties

Compound Name3-propylquinazolin-4-one
PubChem CID529124
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-propylquinazolin-4-one
SMILESCCCn1cnc2ccccc2c1=O
InChIInChI=1S/C11H12N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h3-6,8H,2,7H2,1H3
InChIKeyXUULXKORCSQLNN-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
CID 21150141
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269

Frequently Asked Questions

What is the IUPAC name of 3-propylquinazolin-4-one?
The IUPAC name of 3-propylquinazolin-4-one (CID 529124) is 3-propylquinazolin-4-one.
What is the SMILES notation for 3-propylquinazolin-4-one?
The canonical SMILES for 3-propylquinazolin-4-one is CCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-propylquinazolin-4-one?
The InChIKey is XUULXKORCSQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-propylquinazolin-4-one?
3-propylquinazolin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylquinazolin-4-one is sourced from PubChem (CID 529124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).