ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate

C20H19ClN2O3S — CID 177056525

IUPACethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate
SMILESCCOC(=O)C(Sc1nc2ccc(Cl)cc2c(=O)n1CC)c1ccccc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-23-18(24)15-12-14(21)10-11-16(15)22-20(23)27-17(19(25)26-4-2)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3
InChIKeyVEUJYNRBSMEWIS-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.47
Rot. Bonds6

About ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate

ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate (PubChem CID 177056525) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate
PubChem CID177056525
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Nameethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate
SMILESCCOC(=O)C(Sc1nc2ccc(Cl)cc2c(=O)n1CC)c1ccccc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-23-18(24)15-12-14(21)10-11-16(15)22-20(23)27-17(19(25)26-4-2)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3
InChIKeyVEUJYNRBSMEWIS-UHFFFAOYSA-N
XLogP4.47
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate with MolForge

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Related Compounds

6-chloro-3-ethyl-2-[(1S)-2-oxo-1-phenyl-2-piperazin-1-ylethyl]sulfanylquinazolin-4-one
CID 177055989
2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
CID 177055973
ethyl 2-[(1R)-2-ethoxy-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845779
ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate
CID 9360454
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 18286837
ethyl 2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetate
CID 13457848
6-chloro-3-ethyl-2-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one;ethane;3-formamido-N-(3-methylpentyl)-N-propylpropanamide
CID 177056534
6,7-dichloro-3-ethyl-2-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-phenylethyl]sulfanylquinazolin-4-one
CID 177054414
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 40811720
6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 43031860
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate?
The IUPAC name of ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate (CID 177056525) is ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate.
What is the SMILES notation for ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate?
The canonical SMILES for ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate is CCOC(=O)C(Sc1nc2ccc(Cl)cc2c(=O)n1CC)c1ccccc1.
What is the InChIKey of ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate?
The InChIKey is VEUJYNRBSMEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-3-23-18(24)15-12-14(21)10-11-16(15)22-20(23)27-17(19(25)26-4-2)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate?
ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate has a molecular weight of 402.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate is sourced from PubChem (CID 177056525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).