3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one

C16H21N3O2S — CID 99825262

IUPAC3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
SMILESC[C@@H]1CN(CCSc2nc3ccccc3c(=O)n2C)CCO1
InChIInChI=1S/C16H21N3O2S/c1-12-11-19(7-9-21-12)8-10-22-16-17-14-6-4-3-5-13(14)15(20)18(16)2/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeySDRCTRHGPRDFTQ-GFCCVEGCSA-N
MW319.43 g/mol
LogP1.75
Rot. Bonds4

About 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one

3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one (PubChem CID 99825262) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
PubChem CID99825262
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
SMILESC[C@@H]1CN(CCSc2nc3ccccc3c(=O)n2C)CCO1
InChIInChI=1S/C16H21N3O2S/c1-12-11-19(7-9-21-12)8-10-22-16-17-14-6-4-3-5-13(14)15(20)18(16)2/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1
InChIKeySDRCTRHGPRDFTQ-GFCCVEGCSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 31502094
3-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one
CID 7116663
3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7421358
2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
CID 86818632
3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 2138889
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1391462
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one;hydrochloride
CID 52997902
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155402
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
2-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3289330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one (CID 99825262) is 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one is C[C@@H]1CN(CCSc2nc3ccccc3c(=O)n2C)CCO1.
What is the InChIKey of 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one?
The InChIKey is SDRCTRHGPRDFTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-11-19(7-9-21-12)8-10-22-16-17-14-6-4-3-5-13(14)15(20)18(16)2/h3-6,12H,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one?
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one has a molecular weight of 319.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 99825262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).