ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate

C26H26N2O2 — CID 7277140

IUPACethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate
SMILESCCOC(=O)[C@@H](C)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C
InChIInChI=1S/C26H26N2O2/c1-4-30-25(29)19(2)24-27-23-18-12-11-17-22(23)26(28(24)3,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19H,4H2,1-3H3/t19-/m0/s1
InChIKeyVJLMRVABDLGQGO-IBGZPJMESA-N
MW398.51 g/mol
LogP5.15
Rot. Bonds5

About ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate

ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate (PubChem CID 7277140) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate
PubChem CID7277140
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Nameethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate
SMILESCCOC(=O)[C@@H](C)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C
InChIInChI=1S/C26H26N2O2/c1-4-30-25(29)19(2)24-27-23-18-12-11-17-22(23)26(28(24)3,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19H,4H2,1-3H3/t19-/m0/s1
InChIKeyVJLMRVABDLGQGO-IBGZPJMESA-N
XLogP5.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate
CID 629432
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 3-methyl-2-phenylindole-3-carboxylate
CID 46854944
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
ethyl 15-methyl-8-propan-2-yl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene-1-carboxylate
CID 134838431
diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate
CID 138978052
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 2-(1-oxidopyridin-1-ium-2-yl)propanoate
CID 67356913
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate?
The IUPAC name of ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate (CID 7277140) is ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate is CCOC(=O)[C@@H](C)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C.
What is the InChIKey of ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate?
The InChIKey is VJLMRVABDLGQGO-IBGZPJMESA-N. The full InChI is InChI=1S/C26H26N2O2/c1-4-30-25(29)19(2)24-27-23-18-12-11-17-22(23)26(28(24)3,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19H,4H2,1-3H3/t19-/m0/s1.
What are the key properties of ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate?
ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate has a molecular weight of 398.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(3-methyl-4,4-diphenylquinazolin-2-yl)propanoate is sourced from PubChem (CID 7277140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).