4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one

C15H18ClN3O3 — CID 136538408

IUPAC4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one
SMILESCN1CCN(C(=O)CN2CCOCC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN3O3/c1-17-4-5-19(13-8-11(16)2-3-12(13)17)14(20)9-18-6-7-22-10-15(18)21/h2-3,8H,4-7,9-10H2,1H3
InChIKeySDKUVTFQFJASGM-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.98
Rot. Bonds2

About 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one

4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one (PubChem CID 136538408) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one
PubChem CID136538408
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one
SMILESCN1CCN(C(=O)CN2CCOCC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN3O3/c1-17-4-5-19(13-8-11(16)2-3-12(13)17)14(20)9-18-6-7-22-10-15(18)21/h2-3,8H,4-7,9-10H2,1H3
InChIKeySDKUVTFQFJASGM-UHFFFAOYSA-N
XLogP0.98
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299
4-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]morpholin-3-one
CID 79467616
4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,4-oxazepan-5-one
CID 112738938
3-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 47024805
1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 126778184
4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
CID 79468395
4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 129346715
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570
4-(2-cyclopropyl-2-oxoethyl)morpholin-3-one
CID 79468968
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one (CID 136538408) is 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one is CN1CCN(C(=O)CN2CCOCC2=O)c2cc(Cl)ccc21.
What is the InChIKey of 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one?
The InChIKey is SDKUVTFQFJASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-17-4-5-19(13-8-11(16)2-3-12(13)17)14(20)9-18-6-7-22-10-15(18)21/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one?
4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one has a molecular weight of 323.78 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 136538408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).