[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate

C22H15NO6 — CID 7969840

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccco1
InChIInChI=1S/C22H15NO6/c24-18(23-11-13-5-4-10-28-13)12-29-22(27)17-9-3-8-16-19(17)21(26)15-7-2-1-6-14(15)20(16)25/h1-10H,11-12H2,(H,23,24)
InChIKeySDPZERIJUKGJGF-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.53
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate (PubChem CID 7969840) has the molecular formula C22H15NO6 and a molecular weight of 389.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
PubChem CID7969840
Molecular FormulaC22H15NO6
Molecular Weight389.36 g/mol
Exact Mass389.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccco1
InChIInChI=1S/C22H15NO6/c24-18(23-11-13-5-4-10-28-13)12-29-22(27)17-9-3-8-16-19(17)21(26)15-7-2-1-6-14(15)20(16)25/h1-10H,11-12H2,(H,23,24)
InChIKeySDPZERIJUKGJGF-UHFFFAOYSA-N
XLogP2.53
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(benzylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4622092
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(2-methylpropylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969697
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-(hexylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 9019973
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2363987

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate (CID 7969840) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate is O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate?
The InChIKey is SDPZERIJUKGJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO6/c24-18(23-11-13-5-4-10-28-13)12-29-22(27)17-9-3-8-16-19(17)21(26)15-7-2-1-6-14(15)20(16)25/h1-10H,11-12H2,(H,23,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate is sourced from PubChem (CID 7969840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).