3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one

C24H27N3O3S — CID 41124112

IUPAC3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C24H27N3O3S/c1-16-13-26(14-17(2)30-16)22(28)18(3)31-24-25-21-12-8-7-11-20(21)23(29)27(24)15-19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyKMYBOLKPMZNNDG-KZNAEPCWSA-N
MW437.57 g/mol
LogP3.56
Rot. Bonds5

About 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one

3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one (PubChem CID 41124112) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
PubChem CID41124112
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C24H27N3O3S/c1-16-13-26(14-17(2)30-16)22(28)18(3)31-24-25-21-12-8-7-11-20(21)23(29)27(24)15-19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyKMYBOLKPMZNNDG-KZNAEPCWSA-N
XLogP3.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 55525766
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 5131440
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42737953
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
2-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 25487362
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256
(2R)-2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide
CID 7227448
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
3-benzyl-2-[(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one
CID 2402566

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one (CID 41124112) is 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one is C[C@@H]1CN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)C[C@@H](C)O1.
What is the InChIKey of 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The InChIKey is KMYBOLKPMZNNDG-KZNAEPCWSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-13-26(14-17(2)30-16)22(28)18(3)31-24-25-21-12-8-7-11-20(21)23(29)27(24)15-19-9-5-4-6-10-19/h4-12,16-18H,13-15H2,1-3H3/t16-,17-,18-/m1/s1.
What are the key properties of 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one has a molecular weight of 437.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 41124112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).