3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one

C21H21N3O3S — CID 18199015

IUPAC3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
SMILESCn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3S/c1-23-19(25)16-9-5-6-10-17(16)22-21(23)28-18(15-7-3-2-4-8-15)20(26)24-11-13-27-14-12-24/h2-10,18H,11-14H2,1H3
InChIKeySFUXEVXXWRWCFB-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.63
Rot. Bonds4

About 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one

3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one (PubChem CID 18199015) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
PubChem CID18199015
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
SMILESCn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3S/c1-23-19(25)16-9-5-6-10-17(16)22-21(23)28-18(15-7-3-2-4-8-15)20(26)24-11-13-27-14-12-24/h2-10,18H,11-14H2,1H3
InChIKeySFUXEVXXWRWCFB-UHFFFAOYSA-N
XLogP2.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 40811720
2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
CID 24654189
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
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
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 51209080
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639
3-[2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanylbenzimidazol-1-yl]propanenitrile
CID 25405433
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 17409352
3-[[(2S)-oxolan-2-yl]methyl]-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylquinazolin-4-one
CID 40816991

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one (CID 18199015) is 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one is Cn1c(SC(C(=O)N2CCOCC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
The InChIKey is SFUXEVXXWRWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-23-19(25)16-9-5-6-10-17(16)22-21(23)28-18(15-7-3-2-4-8-15)20(26)24-11-13-27-14-12-24/h2-10,18H,11-14H2,1H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one?
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one has a molecular weight of 395.48 g/mol, XLogP of 2.63, 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-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 18199015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).