3-(4-hydroxybutyl)-2-propylquinazolin-4-one

C15H20N2O2 — CID 59723833

IUPAC3-(4-hydroxybutyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CCCCO
InChIInChI=1S/C15H20N2O2/c1-2-7-14-16-13-9-4-3-8-12(13)15(19)17(14)10-5-6-11-18/h3-4,8-9,18H,2,5-7,10-11H2,1H3
InChIKeyBOGYOLGFAGTICF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-hydroxybutyl)-2-propylquinazolin-4-one

3-(4-hydroxybutyl)-2-propylquinazolin-4-one (PubChem CID 59723833) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-2-propylquinazolin-4-one
PubChem CID59723833
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(4-hydroxybutyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CCCCO
InChIInChI=1S/C15H20N2O2/c1-2-7-14-16-13-9-4-3-8-12(13)15(19)17(14)10-5-6-11-18/h3-4,8-9,18H,2,5-7,10-11H2,1H3
InChIKeyBOGYOLGFAGTICF-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
2-benzyl-3-butylquinazolin-4-one
CID 12563436
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-propylquinazolin-4-one
CID 4253765
2-methyl-2-[4-[3-(4-oxo-2-propylquinazolin-3-yl)propylamino]phenyl]sulfanylpropanoic acid
CID 59723845
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-2-propylquinazolin-4-one?
The IUPAC name of 3-(4-hydroxybutyl)-2-propylquinazolin-4-one (CID 59723833) is 3-(4-hydroxybutyl)-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxybutyl)-2-propylquinazolin-4-one?
The canonical SMILES for 3-(4-hydroxybutyl)-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-2-propylquinazolin-4-one?
The InChIKey is BOGYOLGFAGTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-7-14-16-13-9-4-3-8-12(13)15(19)17(14)10-5-6-11-18/h3-4,8-9,18H,2,5-7,10-11H2,1H3.
What are the key properties of 3-(4-hydroxybutyl)-2-propylquinazolin-4-one?
3-(4-hydroxybutyl)-2-propylquinazolin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-2-propylquinazolin-4-one is sourced from PubChem (CID 59723833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).