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

C18H17BrN2O2 — CID 2862129

IUPACmethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-12-20-16-9-8-14(19)10-15(16)18(13-6-4-3-5-7-13)21(12)11-17(22)23-2/h3-10,18H,11H2,1-2H3
InChIKeyZWSKQYINLNUCMK-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.08
Rot. Bonds3

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

methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate (PubChem CID 2862129) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
PubChem CID2862129
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Namemethyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate
SMILESCOC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-12-20-16-9-8-14(19)10-15(16)18(13-6-4-3-5-7-13)21(12)11-17(22)23-2/h3-10,18H,11H2,1-2H3
InChIKeyZWSKQYINLNUCMK-UHFFFAOYSA-N
XLogP4.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate (CID 2862129) is methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate is COC(=O)CN1C(C)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
The InChIKey is ZWSKQYINLNUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-20-16-9-8-14(19)10-15(16)18(13-6-4-3-5-7-13)21(12)11-17(22)23-2/h3-10,18H,11H2,1-2H3.
What are the key properties of methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate?
methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate has a molecular weight of 373.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetate is sourced from PubChem (CID 2862129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).