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

C24H20BrClN2O2 — CID 2870249

IUPACethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-7-4-3-5-8-16)20-14-18(25)11-12-21(20)27-24(28)17-9-6-10-19(26)13-17/h3-14,23H,2,15H2,1H3
InChIKeyDIWVZUDKMGEALZ-UHFFFAOYSA-N
MW483.79 g/mol
LogP6.15
Rot. Bonds5

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

ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (PubChem CID 2870249) has the molecular formula C24H20BrClN2O2 and a molecular weight of 483.79 g/mol. Its IUPAC name is ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
PubChem CID2870249
Molecular FormulaC24H20BrClN2O2
Molecular Weight483.79 g/mol
Exact Mass482.04
IUPAC Nameethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-7-4-3-5-8-16)20-14-18(25)11-12-21(20)27-24(28)17-9-6-10-19(26)13-17/h3-14,23H,2,15H2,1H3
InChIKeyDIWVZUDKMGEALZ-UHFFFAOYSA-N
XLogP6.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.79
LogP ≤ 56.15
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-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (CID 2870249) is ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is CCOC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The InChIKey is DIWVZUDKMGEALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-7-4-3-5-8-16)20-14-18(25)11-12-21(20)27-24(28)17-9-6-10-19(26)13-17/h3-14,23H,2,15H2,1H3.
What are the key properties of ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate has a molecular weight of 483.79 g/mol, XLogP of 6.15, 5 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-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 2870249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).