ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate

C24H22BrClN2O2 — CID 6348233

IUPACethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1[C@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H22BrClN2O2/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/h3-14,23-24,27H,2,15H2,1H3/t23-,24-/m1/s1
InChIKeyIXUMUCLOPJMZLS-DNQXCXABSA-N
MW485.81 g/mol
LogP6.18
Rot. Bonds5

About ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate

ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate (PubChem CID 6348233) has the molecular formula C24H22BrClN2O2 and a molecular weight of 485.81 g/mol. Its IUPAC name is ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
PubChem CID6348233
Molecular FormulaC24H22BrClN2O2
Molecular Weight485.81 g/mol
Exact Mass484.06
IUPAC Nameethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
SMILESCCOC(=O)CN1[C@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H22BrClN2O2/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/h3-14,23-24,27H,2,15H2,1H3/t23-,24-/m1/s1
InChIKeyIXUMUCLOPJMZLS-DNQXCXABSA-N
XLogP6.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.81
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-[6-bromo-2-(4-fluorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 3840634
methyl 2-[(2S,4S)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 40830770
methyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 3404269
ethyl 2-[(2R,4S)-6-bromo-2-(3-fluorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 100621108
ethyl 2-[(2S,4R)-6-bromo-2-(2-methoxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 6566661
methyl 2-[(2R,4R)-6-bromo-2-[4-(diethylamino)phenyl]-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 6348923
methyl 2-[6-bromo-2-(3-fluorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
CID 71945848
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
1-(7-bromo-5-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)propan-1-one
CID 67354176
ethyl 3-[5-bromo-1-(4-chlorophenyl)-3-oxo-1H-isoindol-2-yl]-3-(4-chlorophenyl)propanoate
CID 145283292
ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate
CID 134963269

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate (CID 6348233) is ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate is CCOC(=O)CN1[C@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate?
The InChIKey is IXUMUCLOPJMZLS-DNQXCXABSA-N. The full InChI is InChI=1S/C24H22BrClN2O2/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/h3-14,23-24,27H,2,15H2,1H3/t23-,24-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate?
ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate has a molecular weight of 485.81 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R)-6-bromo-2-(4-chlorophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate is sourced from PubChem (CID 6348233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).