(4-methylquinazolin-6-yl) acetate

C11H10N2O2 — CID 163492929

IUPAC(4-methylquinazolin-6-yl) acetate
SMILESCC(=O)Oc1ccc2ncnc(C)c2c1
InChIInChI=1S/C11H10N2O2/c1-7-10-5-9(15-8(2)14)3-4-11(10)13-6-12-7/h3-6H,1-2H3
InChIKeyCOERMTHTPXZHPQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.86
Rot. Bonds1

About (4-methylquinazolin-6-yl) acetate

(4-methylquinazolin-6-yl) acetate (PubChem CID 163492929) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4-methylquinazolin-6-yl) acetate.

Molecular Properties

Compound Name(4-methylquinazolin-6-yl) acetate
PubChem CID163492929
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4-methylquinazolin-6-yl) acetate
SMILESCC(=O)Oc1ccc2ncnc(C)c2c1
InChIInChI=1S/C11H10N2O2/c1-7-10-5-9(15-8(2)14)3-4-11(10)13-6-12-7/h3-6H,1-2H3
InChIKeyCOERMTHTPXZHPQ-UHFFFAOYSA-N
XLogP1.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylquinazolin-6-yl) acetate?
The IUPAC name of (4-methylquinazolin-6-yl) acetate (CID 163492929) is (4-methylquinazolin-6-yl) acetate.
What is the SMILES notation for (4-methylquinazolin-6-yl) acetate?
The canonical SMILES for (4-methylquinazolin-6-yl) acetate is CC(=O)Oc1ccc2ncnc(C)c2c1.
What is the InChIKey of (4-methylquinazolin-6-yl) acetate?
The InChIKey is COERMTHTPXZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-10-5-9(15-8(2)14)3-4-11(10)13-6-12-7/h3-6H,1-2H3.
What are the key properties of (4-methylquinazolin-6-yl) acetate?
(4-methylquinazolin-6-yl) acetate has a molecular weight of 202.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinazolin-6-yl) acetate is sourced from PubChem (CID 163492929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).