methyl 6-hydroxyquinazoline-4-carboxylate

C10H8N2O3 — CID 105455928

IUPACmethyl 6-hydroxyquinazoline-4-carboxylate
SMILESCOC(=O)c1ncnc2ccc(O)cc12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)9-7-4-6(13)2-3-8(7)11-5-12-9/h2-5,13H,1H3
InChIKeyLICZGIHABWSEIA-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.12
Rot. Bonds1

About methyl 6-hydroxyquinazoline-4-carboxylate

methyl 6-hydroxyquinazoline-4-carboxylate (PubChem CID 105455928) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 6-hydroxyquinazoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxyquinazoline-4-carboxylate
PubChem CID105455928
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 6-hydroxyquinazoline-4-carboxylate
SMILESCOC(=O)c1ncnc2ccc(O)cc12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)9-7-4-6(13)2-3-8(7)11-5-12-9/h2-5,13H,1H3
InChIKeyLICZGIHABWSEIA-UHFFFAOYSA-N
XLogP1.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate
CID 23666541
3-(6-hydroxyquinazolin-4-yl)propanoic acid
CID 105471952
4-anilinoquinazolin-6-ol;ethane
CID 91520479
(4-methylquinazolin-6-yl) acetate
CID 163492929
4-methylquinazoline-6-carboxylic acid
CID 84661394
dimethyl 3,7-dihydroxynaphthalene-1,2-dicarboxylate
CID 145325415
methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
CID 143363540
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 5-hydroxy-2-nitrobenzoate
CID 12922678
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
CID 107346260
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxyquinazoline-4-carboxylate?
The IUPAC name of methyl 6-hydroxyquinazoline-4-carboxylate (CID 105455928) is methyl 6-hydroxyquinazoline-4-carboxylate.
What is the SMILES notation for methyl 6-hydroxyquinazoline-4-carboxylate?
The canonical SMILES for methyl 6-hydroxyquinazoline-4-carboxylate is COC(=O)c1ncnc2ccc(O)cc12.
What is the InChIKey of methyl 6-hydroxyquinazoline-4-carboxylate?
The InChIKey is LICZGIHABWSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)9-7-4-6(13)2-3-8(7)11-5-12-9/h2-5,13H,1H3.
What are the key properties of methyl 6-hydroxyquinazoline-4-carboxylate?
methyl 6-hydroxyquinazoline-4-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxyquinazoline-4-carboxylate is sourced from PubChem (CID 105455928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).