ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate

C20H20N2O3S — CID 2065525

IUPACethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-25-19(24)14(3)26-20-21-17-8-6-5-7-16(17)18(23)22(20)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyUWLKUPVRAFJJRX-CQSZACIVSA-N
MW368.46 g/mol
LogP3.74
Rot. Bonds5

About ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate

ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate (PubChem CID 2065525) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
PubChem CID2065525
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-25-19(24)14(3)26-20-21-17-8-6-5-7-16(17)18(23)22(20)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1
InChIKeyUWLKUPVRAFJJRX-CQSZACIVSA-N
XLogP3.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 42972473
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
ethyl (2R)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate
CID 27137096
2-[(2S)-3-oxopentan-2-yl]sulfanyl-3-phenylquinazolin-4-one
CID 7390011
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112779482
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42970537
(2S)-2-[3-[4-[(2R)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2580849
6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
CID 42973460
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate (CID 2065525) is ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate is CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate?
The InChIKey is UWLKUPVRAFJJRX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-25-19(24)14(3)26-20-21-17-8-6-5-7-16(17)18(23)22(20)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate?
ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate has a molecular weight of 368.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate is sourced from PubChem (CID 2065525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).