2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide

C24H25ClN4O3S — CID 177055973

IUPAC2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
SMILESCCn1c(SC(C(=O)N2CC(CC(=O)NC)C2)c2ccccc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C24H25ClN4O3S/c1-3-29-22(31)18-12-17(25)9-10-19(18)27-24(29)33-21(16-7-5-4-6-8-16)23(32)28-13-15(14-28)11-20(30)26-2/h4-10,12,15,21H,3,11,13-14H2,1-2H3,(H,26,30)
InChIKeyXXAGUXQIFXXPRR-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.50
Rot. Bonds7

About 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide

2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide (PubChem CID 177055973) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
PubChem CID177055973
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
SMILESCCn1c(SC(C(=O)N2CC(CC(=O)NC)C2)c2ccccc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C24H25ClN4O3S/c1-3-29-22(31)18-12-17(25)9-10-19(18)27-24(29)33-21(16-7-5-4-6-8-16)23(32)28-13-15(14-28)11-20(30)26-2/h4-10,12,15,21H,3,11,13-14H2,1-2H3,(H,26,30)
InChIKeyXXAGUXQIFXXPRR-UHFFFAOYSA-N
XLogP3.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide 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
ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate
CID 177056525
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
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 43031860
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
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 18286837
tert-butyl (2R)-1-[2-(6,7-dichloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 177054434
4-[[(2S)-1-[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetyl]pyrrolidin-2-yl]methylamino]-4-oxobutanoic acid
CID 177056219
6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one
CID 177056292
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide (CID 177055973) is 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide is CCn1c(SC(C(=O)N2CC(CC(=O)NC)C2)c2ccccc2)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide?
The InChIKey is XXAGUXQIFXXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-3-29-22(31)18-12-17(25)9-10-19(18)27-24(29)33-21(16-7-5-4-6-8-16)23(32)28-13-15(14-28)11-20(30)26-2/h4-10,12,15,21H,3,11,13-14H2,1-2H3,(H,26,30).
What are the key properties of 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide?
2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide has a molecular weight of 485.01 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 177055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).