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

C23H18BrClN2O2 — CID 2862135

IUPACmethyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccccc2Cl)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C23H18BrClN2O2/c1-29-21(28)14-27-22(15-7-3-2-4-8-15)18-13-16(24)11-12-20(18)26-23(27)17-9-5-6-10-19(17)25/h2-13,22H,14H2,1H3
InChIKeyOEQVMAYCBHJTJH-UHFFFAOYSA-N
MW469.77 g/mol
LogP5.76
Rot. Bonds4

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

methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (PubChem CID 2862135) has the molecular formula C23H18BrClN2O2 and a molecular weight of 469.77 g/mol. Its IUPAC name is methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
PubChem CID2862135
Molecular FormulaC23H18BrClN2O2
Molecular Weight469.77 g/mol
Exact Mass468.02
IUPAC Namemethyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccccc2Cl)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C23H18BrClN2O2/c1-29-21(28)14-27-22(15-7-3-2-4-8-15)18-13-16(24)11-12-20(18)26-23(27)17-9-5-6-10-19(17)25/h2-13,22H,14H2,1H3
InChIKeyOEQVMAYCBHJTJH-UHFFFAOYSA-N
XLogP5.76
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 55.76
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-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (CID 2862135) is methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is COC(=O)CN1C(c2ccccc2Cl)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The InChIKey is OEQVMAYCBHJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2O2/c1-29-21(28)14-27-22(15-7-3-2-4-8-15)18-13-16(24)11-12-20(18)26-23(27)17-9-5-6-10-19(17)25/h2-13,22H,14H2,1H3.
What are the key properties of methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
methyl 2-[6-bromo-2-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate has a molecular weight of 469.77 g/mol, XLogP of 5.76, 4 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-(2-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 2862135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).