4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione

C15H14N2O4 — CID 147199581

IUPAC4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
SMILESCc1nc2ccc(O)cc2c(=O)n1C1CCC(=O)CC1=O
InChIInChI=1S/C15H14N2O4/c1-8-16-12-4-2-9(18)6-11(12)15(21)17(8)13-5-3-10(19)7-14(13)20/h2,4,6,13,18H,3,5,7H2,1H3
InChIKeyCDAYGWVOMTZDDK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.27
Rot. Bonds1

About 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione

4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione (PubChem CID 147199581) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
PubChem CID147199581
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
SMILESCc1nc2ccc(O)cc2c(=O)n1C1CCC(=O)CC1=O
InChIInChI=1S/C15H14N2O4/c1-8-16-12-4-2-9(18)6-11(12)15(21)17(8)13-5-3-10(19)7-14(13)20/h2,4,6,13,18H,3,5,7H2,1H3
InChIKeyCDAYGWVOMTZDDK-UHFFFAOYSA-N
XLogP1.27
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
4-[7-(aminomethyl)-2-methyl-4-oxoquinazolin-3-yl]cyclohexane-1,3-dione
CID 159290984
(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
CID 157287369
6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
CID 141376183
(4R)-4-deuterio-4-(2,6-dimethyl-4-oxoquinazolin-3-yl)cycloheptane-1,3-dione
CID 163904070
4-(5-amino-6,7,8-trideuterio-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
CID 159872530
4-[7-fluoro-2-methyl-4-oxo-5-(propan-2-ylamino)quinazolin-3-yl]cyclohexane-1,3-dione
CID 157289548
2-(4-chlorophenyl)-N-[[3-(2,4-dioxocyclohexyl)-2-methyl-4-oxoquinazolin-5-yl]methyl]acetamide
CID 148731223
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
4-[2-methyl-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]-4-oxoquinazolin-3-yl]cyclohexane-1,3-dione
CID 159878493
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;(4R)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;(4R)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;4-[5-amino-7-fluoro-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]cyclohexane-1,3-dione;4-[5-amino-7-fluoro-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4-deuteriocyclohexane-1,3-dione
CID 157287368

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione?
The IUPAC name of 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione (CID 147199581) is 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione.
What is the SMILES notation for 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione?
The canonical SMILES for 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione is Cc1nc2ccc(O)cc2c(=O)n1C1CCC(=O)CC1=O.
What is the InChIKey of 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione?
The InChIKey is CDAYGWVOMTZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-16-12-4-2-9(18)6-11(12)15(21)17(8)13-5-3-10(19)7-14(13)20/h2,4,6,13,18H,3,5,7H2,1H3.
What are the key properties of 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione?
4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione has a molecular weight of 286.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione is sourced from PubChem (CID 147199581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).