4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one

C13H18N2O2 — CID 123898317

IUPAC4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one
SMILESCCCN1C(=O)N(C)c2ccc(C)cc2C1O
InChIInChI=1S/C13H18N2O2/c1-4-7-15-12(16)10-8-9(2)5-6-11(10)14(3)13(15)17/h5-6,8,12,16H,4,7H2,1-3H3
InChIKeySZMAZQOHZYSDIS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.27
Rot. Bonds2

About 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one

4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one (PubChem CID 123898317) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one
PubChem CID123898317
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one
SMILESCCCN1C(=O)N(C)c2ccc(C)cc2C1O
InChIInChI=1S/C13H18N2O2/c1-4-7-15-12(16)10-8-9(2)5-6-11(10)14(3)13(15)17/h5-6,8,12,16H,4,7H2,1-3H3
InChIKeySZMAZQOHZYSDIS-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
CID 91030977
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
2-ethyl-1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636173
4-(2-aminoethyl)-1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 84622894
3-isothiocyanato-1,5-dimethyl-3H-indol-2-one
CID 71605264
1-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110636164
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
2-(2-ethylhexyl)-3-hydroxy-6-methyl-3H-isoindol-1-one
CID 170439962
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
CID 7357026

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one (CID 123898317) is 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one is CCCN1C(=O)N(C)c2ccc(C)cc2C1O.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one?
The InChIKey is SZMAZQOHZYSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-15-12(16)10-8-9(2)5-6-11(10)14(3)13(15)17/h5-6,8,12,16H,4,7H2,1-3H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one?
4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one is sourced from PubChem (CID 123898317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).