5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid

C15H20N2O4 — CID 82009697

IUPAC5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H20N2O4/c1-9(6-14(19)20)5-13(18)10-3-4-12-11(7-10)8-17(2)15(21)16-12/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQCIKNKWJWPAAMZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.20
Rot. Bonds5

About 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid

5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid (PubChem CID 82009697) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid
PubChem CID82009697
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H20N2O4/c1-9(6-14(19)20)5-13(18)10-3-4-12-11(7-10)8-17(2)15(21)16-12/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQCIKNKWJWPAAMZ-UHFFFAOYSA-N
XLogP2.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid?
The IUPAC name of 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid (CID 82009697) is 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid.
What is the SMILES notation for 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid?
The canonical SMILES for 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid is CC(CC(=O)O)CC(O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid?
The InChIKey is QCIKNKWJWPAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(6-14(19)20)5-13(18)10-3-4-12-11(7-10)8-17(2)15(21)16-12/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid?
5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid is sourced from PubChem (CID 82009697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).