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

C24H20BrClN2O2 — CID 2870267

IUPACethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)27-24(28)17-8-11-19(26)12-9-17/h3-14,23H,2,15H2,1H3
InChIKeyNVTKHMHPJCZVBD-UHFFFAOYSA-N
MW483.79 g/mol
LogP6.15
Rot. Bonds5

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

ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (PubChem CID 2870267) has the molecular formula C24H20BrClN2O2 and a molecular weight of 483.79 g/mol. Its IUPAC name is ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
PubChem CID2870267
Molecular FormulaC24H20BrClN2O2
Molecular Weight483.79 g/mol
Exact Mass482.04
IUPAC Nameethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)27-24(28)17-8-11-19(26)12-9-17/h3-14,23H,2,15H2,1H3
InChIKeyNVTKHMHPJCZVBD-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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Related Compounds

methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3529531
methyl [6-bromo-2-(morpholin-4-ylmethyl)-4-phenylquinazolin-3(4H)-yl]acetate
CID 2870470
methyl [6-chloro-2-(3-chlorophenyl)-4-phenylquinazolin-3(4H)-yl]acetate
CID 3808079
Methyl 2-(6-bromo-2-ethyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
CID 2862130
methyl (6-chloro-2,4-diphenyl-3(4H)-quinazolinyl)acetate
CID 2927143
(6-bromo-2,4-diphenylquinazolin-3(4H)-yl)acetic acid
CID 2857839
methyl {6-bromo-2-[2-(morpholin-4-yl)ethyl]-4-phenylquinazolin-3(4H)-yl}acetate
CID 3119180
Methyl 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
CID 2862129
methyl [6-bromo-4-(2-chlorophenyl)-2-methylquinazolin-3(4H)-yl]acetate
CID 3117554
Ethyl 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
CID 2874772
(6-Bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)-acetic acid methyl ester
CID 11958742
methyl 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetate
CID 2862068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (CID 2870267) is ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is CCOC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The InChIKey is NVTKHMHPJCZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClN2O2/c1-2-30-22(29)15-28-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)27-24(28)17-8-11-19(26)12-9-17/h3-14,23H,2,15H2,1H3.
What are the key properties of ethyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
ethyl 2-[6-bromo-2-(4-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-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 2870267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).