methyl 2-quinazolin-6-ylacetate

C11H10N2O2 — CID 67429396

IUPACmethyl 2-quinazolin-6-ylacetate
SMILESCOC(=O)Cc1ccc2ncncc2c1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)5-8-2-3-10-9(4-8)6-12-7-13-10/h2-4,6-7H,5H2,1H3
InChIKeyVSGBGQCKTNYKAG-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-quinazolin-6-ylacetate

methyl 2-quinazolin-6-ylacetate (PubChem CID 67429396) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-quinazolin-6-ylacetate.

Molecular Properties

Compound Namemethyl 2-quinazolin-6-ylacetate
PubChem CID67429396
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 2-quinazolin-6-ylacetate
SMILESCOC(=O)Cc1ccc2ncncc2c1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)5-8-2-3-10-9(4-8)6-12-7-13-10/h2-4,6-7H,5H2,1H3
InChIKeyVSGBGQCKTNYKAG-UHFFFAOYSA-N
XLogP1.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
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sodium 2,4-bis(2-methoxy-2-oxoethyl)phenolate
CID 162321881
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154
trimethyl(quinazolin-6-yl)stannane
CID 90333131
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
CID 165353850
methyl 2-(2-ethylsulfanyl-3H-benzimidazol-5-yl)acetate
CID 135263173

Frequently Asked Questions

What is the IUPAC name of methyl 2-quinazolin-6-ylacetate?
The IUPAC name of methyl 2-quinazolin-6-ylacetate (CID 67429396) is methyl 2-quinazolin-6-ylacetate.
What is the SMILES notation for methyl 2-quinazolin-6-ylacetate?
The canonical SMILES for methyl 2-quinazolin-6-ylacetate is COC(=O)Cc1ccc2ncncc2c1.
What is the InChIKey of methyl 2-quinazolin-6-ylacetate?
The InChIKey is VSGBGQCKTNYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)5-8-2-3-10-9(4-8)6-12-7-13-10/h2-4,6-7H,5H2,1H3.
What are the key properties of methyl 2-quinazolin-6-ylacetate?
methyl 2-quinazolin-6-ylacetate has a molecular weight of 202.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinazolin-6-ylacetate is sourced from PubChem (CID 67429396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).