7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one

C14H16N2O5 — CID 171600544

IUPAC7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(C)nc2cc1OCCC(=O)CO
InChIInChI=1S/C14H16N2O5/c1-8-15-11-6-13(21-4-3-9(18)7-17)12(20-2)5-10(11)14(19)16-8/h5-6,17H,3-4,7H2,1-2H3,(H,15,16,19)
InChIKeyODDNKQNRSJBDNU-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.57
Rot. Bonds6

About 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one

7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one (PubChem CID 171600544) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
PubChem CID171600544
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(C)nc2cc1OCCC(=O)CO
InChIInChI=1S/C14H16N2O5/c1-8-15-11-6-13(21-4-3-9(18)7-17)12(20-2)5-10(11)14(19)16-8/h5-6,17H,3-4,7H2,1-2H3,(H,15,16,19)
InChIKeyODDNKQNRSJBDNU-UHFFFAOYSA-N
XLogP0.57
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 167028862
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421
(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 167197487
4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
CID 175809486
6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one
CID 137290427
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
diaminomethylidene-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)azanium
CID 135449625
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one (CID 171600544) is 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one is COc1cc2c(=O)[nH]c(C)nc2cc1OCCC(=O)CO.
What is the InChIKey of 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one?
The InChIKey is ODDNKQNRSJBDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-15-11-6-13(21-4-3-9(18)7-17)12(20-2)5-10(11)14(19)16-8/h5-6,17H,3-4,7H2,1-2H3,(H,15,16,19).
What are the key properties of 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one?
7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one has a molecular weight of 292.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 171600544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).