methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate

C19H18N2O5 — CID 11810360

IUPACmethoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate
SMILESCOCOC(=O)Cc1cccc2c(=O)c(N)c(-c3ccccc3N)oc12
InChIInChI=1S/C19H18N2O5/c1-24-10-25-15(22)9-11-5-4-7-13-17(23)16(21)19(26-18(11)13)12-6-2-3-8-14(12)20/h2-8H,9-10,20-21H2,1H3
InChIKeyDEYNIEVFFUZGRK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.31
Rot. Bonds5

About methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate

methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate (PubChem CID 11810360) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate.

Molecular Properties

Compound Namemethoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate
PubChem CID11810360
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate
SMILESCOCOC(=O)Cc1cccc2c(=O)c(N)c(-c3ccccc3N)oc12
InChIInChI=1S/C19H18N2O5/c1-24-10-25-15(22)9-11-5-4-7-13-17(23)16(21)19(26-18(11)13)12-6-2-3-8-14(12)20/h2-8H,9-10,20-21H2,1H3
InChIKeyDEYNIEVFFUZGRK-UHFFFAOYSA-N
XLogP2.31
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[8-(hydroxymethyl)-4-oxo-2-phenylchromen-3-yl]methyl acetate
CID 23033928
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
CID 135022405
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
methyl 8-amino-4-oxochromene-3-carboxylate
CID 53415168
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
CID 154402292
4-ethylxanthen-9-one
CID 15075530
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288110
ethyl 2-[2-(3,5-dimethoxyphenyl)-4-oxochromen-3-yl]acetate
CID 57338476

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate?
The IUPAC name of methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate (CID 11810360) is methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate.
What is the SMILES notation for methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate?
The canonical SMILES for methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate is COCOC(=O)Cc1cccc2c(=O)c(N)c(-c3ccccc3N)oc12.
What is the InChIKey of methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate?
The InChIKey is DEYNIEVFFUZGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-10-25-15(22)9-11-5-4-7-13-17(23)16(21)19(26-18(11)13)12-6-2-3-8-14(12)20/h2-8H,9-10,20-21H2,1H3.
What are the key properties of methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate?
methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate has a molecular weight of 354.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-[3-amino-2-(2-aminophenyl)-4-oxochromen-8-yl]acetate is sourced from PubChem (CID 11810360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).