4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one

C17H20N2O4 — CID 94759004

IUPAC4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one
SMILESCc1cc(=O)oc2cc(NCC(=O)N3CCO[C@@H](C)C3)ccc12
InChIInChI=1S/C17H20N2O4/c1-11-7-17(21)23-15-8-13(3-4-14(11)15)18-9-16(20)19-5-6-22-12(2)10-19/h3-4,7-8,12,18H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVEBHGWZAASJQQR-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.76
Rot. Bonds3

About 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one

4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one (PubChem CID 94759004) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one
PubChem CID94759004
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one
SMILESCc1cc(=O)oc2cc(NCC(=O)N3CCO[C@@H](C)C3)ccc12
InChIInChI=1S/C17H20N2O4/c1-11-7-17(21)23-15-8-13(3-4-14(11)15)18-9-16(20)19-5-6-22-12(2)10-19/h3-4,7-8,12,18H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVEBHGWZAASJQQR-LBPRGKRZSA-N
XLogP1.76
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone
CID 51111589
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
CID 94532818
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(2-methylpyrimidin-4-yl)anilino]ethanone
CID 36846198
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502771
N-(4-ethoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]benzamide
CID 51295319
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
CID 171933307
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 118780195

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one?
The IUPAC name of 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one (CID 94759004) is 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one?
The canonical SMILES for 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one is Cc1cc(=O)oc2cc(NCC(=O)N3CCO[C@@H](C)C3)ccc12.
What is the InChIKey of 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one?
The InChIKey is VEBHGWZAASJQQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-7-17(21)23-15-8-13(3-4-14(11)15)18-9-16(20)19-5-6-22-12(2)10-19/h3-4,7-8,12,18H,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one?
4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one is sourced from PubChem (CID 94759004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).