3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one

C17H21N3O3 — CID 27661543

IUPAC3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)cnc12
InChIInChI=1S/C17H21N3O3/c1-11-5-4-6-14-16(11)18-10-20(17(14)22)9-15(21)19-7-12(2)23-13(3)8-19/h4-6,10,12-13H,7-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyKOPOUPYOGSBIIT-STQMWFEESA-N
MW315.37 g/mol
LogP1.34
Rot. Bonds2

About 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one

3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one (PubChem CID 27661543) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
PubChem CID27661543
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)cnc12
InChIInChI=1S/C17H21N3O3/c1-11-5-4-6-14-16(11)18-10-20(17(14)22)9-15(21)19-7-12(2)23-13(3)8-19/h4-6,10,12-13H,7-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyKOPOUPYOGSBIIT-STQMWFEESA-N
XLogP1.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one with MolForge

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Related Compounds

(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 124697529
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332
2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 52519291
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 17421067
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one (CID 27661543) is 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)cnc12.
What is the InChIKey of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The InChIKey is KOPOUPYOGSBIIT-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-5-4-6-14-16(11)18-10-20(17(14)22)9-15(21)19-7-12(2)23-13(3)8-19/h4-6,10,12-13H,7-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one has a molecular weight of 315.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 27661543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).