ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate

C19H19BrN2O2 — CID 2874772

IUPACethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
SMILESCCOC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-3-24-18(23)12-22-13(2)21-17-10-9-15(20)11-16(17)19(22)14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3
InChIKeyWOQZROCEBJQFCD-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.47
Rot. Bonds4

About ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate

ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate (PubChem CID 2874772) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
PubChem CID2874772
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Nameethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
SMILESCCOC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-3-24-18(23)12-22-13(2)21-17-10-9-15(20)11-16(17)19(22)14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3
InChIKeyWOQZROCEBJQFCD-UHFFFAOYSA-N
XLogP4.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate (CID 2874772) is ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate is CCOC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The InChIKey is WOQZROCEBJQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-3-24-18(23)12-22-13(2)21-17-10-9-15(20)11-16(17)19(22)14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate has a molecular weight of 387.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate is sourced from PubChem (CID 2874772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).