3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one

C14H18N2O2 — CID 39819350

IUPAC3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one
SMILESCc1cccc2ncn([C@H](CO)C(C)C)c(=O)c12
InChIInChI=1S/C14H18N2O2/c1-9(2)12(7-17)16-8-15-11-6-4-5-10(3)13(11)14(16)18/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m1/s1
InChIKeyRCDNNMKGYKWUCS-GFCCVEGCSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds3

About 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one

3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one (PubChem CID 39819350) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one
PubChem CID39819350
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one
SMILESCc1cccc2ncn([C@H](CO)C(C)C)c(=O)c12
InChIInChI=1S/C14H18N2O2/c1-9(2)12(7-17)16-8-15-11-6-4-5-10(3)13(11)14(16)18/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m1/s1
InChIKeyRCDNNMKGYKWUCS-GFCCVEGCSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-5-methylquinazolin-4-one
CID 117263645
3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methylquinazolin-4-one
CID 39814868
3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39830758
5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 91126361
3-(1-hydroxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 82790795
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzimidazole-4-carboxylic acid
CID 115543869
5-methyl-3-pyridin-3-ylquinazolin-4-one
CID 150241032
5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117263443
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
CID 84726640
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
8-chloro-5-methyl-3-propan-2-ylpyrido[3,4-d]pyrimidin-4-one
CID 139494905

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one?
The IUPAC name of 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one (CID 39819350) is 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one.
What is the SMILES notation for 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one?
The canonical SMILES for 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one is Cc1cccc2ncn([C@H](CO)C(C)C)c(=O)c12.
What is the InChIKey of 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one?
The InChIKey is RCDNNMKGYKWUCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)12(7-17)16-8-15-11-6-4-5-10(3)13(11)14(16)18/h4-6,8-9,12,17H,7H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one?
3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylquinazolin-4-one is sourced from PubChem (CID 39819350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).