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

C13H16N2O2 — CID 154753235

IUPAC3-(2-hydroxybutyl)-2-methylquinazolin-4-one
SMILESCCC(O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H16N2O2/c1-3-10(16)8-15-9(2)14-12-7-5-4-6-11(12)13(15)17/h4-7,10,16H,3,8H2,1-2H3
InChIKeyWYJACMXFMBMVKC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds3

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

3-(2-hydroxybutyl)-2-methylquinazolin-4-one (PubChem CID 154753235) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2-hydroxybutyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxybutyl)-2-methylquinazolin-4-one
PubChem CID154753235
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2-hydroxybutyl)-2-methylquinazolin-4-one
SMILESCCC(O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H16N2O2/c1-3-10(16)8-15-9(2)14-12-7-5-4-6-11(12)13(15)17/h4-7,10,16H,3,8H2,1-2H3
InChIKeyWYJACMXFMBMVKC-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 110885773
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
CID 42952061
3-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 94796342
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-methyl-3-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-one
CID 21004526

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(2-hydroxybutyl)-2-methylquinazolin-4-one (CID 154753235) is 3-(2-hydroxybutyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxybutyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(2-hydroxybutyl)-2-methylquinazolin-4-one is CCC(O)Cn1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-hydroxybutyl)-2-methylquinazolin-4-one?
The InChIKey is WYJACMXFMBMVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-10(16)8-15-9(2)14-12-7-5-4-6-11(12)13(15)17/h4-7,10,16H,3,8H2,1-2H3.
What are the key properties of 3-(2-hydroxybutyl)-2-methylquinazolin-4-one?
3-(2-hydroxybutyl)-2-methylquinazolin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 154753235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).