methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate

C19H23NO6 — CID 1297076

IUPACmethyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
SMILESCCN(CC)C(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1
InChIInChI=1S/C19H23NO6/c1-5-20(6-2)17(21)11-25-13-7-8-14-12(3)15(10-18(22)24-4)19(23)26-16(14)9-13/h7-9H,5-6,10-11H2,1-4H3
InChIKeyZKYJVAWGWVQVKU-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.06
Rot. Bonds7

About methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate

methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate (PubChem CID 1297076) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
PubChem CID1297076
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namemethyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
SMILESCCN(CC)C(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1
InChIInChI=1S/C19H23NO6/c1-5-20(6-2)17(21)11-25-13-7-8-14-12(3)15(10-18(22)24-4)19(23)26-16(14)9-13/h7-9H,5-6,10-11H2,1-4H3
InChIKeyZKYJVAWGWVQVKU-UHFFFAOYSA-N
XLogP2.06
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
methyl 2-[7-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 41069268
methyl 2-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1307271
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
CID 907412
methyl 2-[4-methyl-2-oxo-7-[(2R)-3-oxobutan-2-yl]oxychromen-3-yl]acetate
CID 906861
methyl 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
CID 86668467
ethyl 2-(4-methyl-2-oxo-3-undecylchromen-7-yl)oxyacetate
CID 146164206
ethyl 3-[7-(2-amino-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]propanoate
CID 907563
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxyacetic acid
CID 725775
methyl 2-[4-methyl-2-oxo-7-[(2S)-1-oxo-1-phenylpropan-2-yl]oxychromen-3-yl]acetate
CID 1307141
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate?
The IUPAC name of methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate (CID 1297076) is methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate.
What is the SMILES notation for methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate?
The canonical SMILES for methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate is CCN(CC)C(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1.
What is the InChIKey of methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate?
The InChIKey is ZKYJVAWGWVQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-5-20(6-2)17(21)11-25-13-7-8-14-12(3)15(10-18(22)24-4)19(23)26-16(14)9-13/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate?
methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate has a molecular weight of 361.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate is sourced from PubChem (CID 1297076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).