7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

C23H24ClN3O3S — CID 2086414

IUPAC7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-14-4-7-18(8-5-14)27-22(29)19-9-6-17(24)10-20(19)25-23(27)31-13-21(28)26-11-15(2)30-16(3)12-26/h4-10,15-16H,11-13H2,1-3H3/t15-,16+
InChIKeyQQQMDFDJQRSCFR-IYBDPMFKSA-N
MW457.98 g/mol
LogP4.08
Rot. Bonds4

About 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 2086414) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
PubChem CID2086414
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-14-4-7-18(8-5-14)27-22(29)19-9-6-17(24)10-20(19)25-23(27)31-13-21(28)26-11-15(2)30-16(3)12-26/h4-10,15-16H,11-13H2,1-3H3/t15-,16+
InChIKeyQQQMDFDJQRSCFR-IYBDPMFKSA-N
XLogP4.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one
CID 16534195
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one
CID 5000061
7-chloro-3-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112787006
6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 16510083
7-chloro-3-(4-chlorophenyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4536880
3-(3-chlorophenyl)-2-[5-(2,6-dimethylmorpholin-4-yl)-5-oxopentyl]sulfanylquinazolin-4-one
CID 42734630
2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 42980258
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3471205
3-(2,4-difluorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16532203
7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 2081713

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one (CID 2086414) is 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3cc(Cl)ccc3c2=O)cc1.
What is the InChIKey of 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is QQQMDFDJQRSCFR-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-14-4-7-18(8-5-14)27-22(29)19-9-6-17(24)10-20(19)25-23(27)31-13-21(28)26-11-15(2)30-16(3)12-26/h4-10,15-16H,11-13H2,1-3H3/t15-,16+.
What are the key properties of 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 457.98 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 2086414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).