2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one

C20H21NO4 — CID 5398300

IUPAC2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
SMILESCCc1cc2c(oc(=O)c3ccccc32)c(CN2CCOCC2)c1O
InChIInChI=1S/C20H21NO4/c1-2-13-11-16-14-5-3-4-6-15(14)20(23)25-19(16)17(18(13)22)12-21-7-9-24-10-8-21/h3-6,11,22H,2,7-10,12H2,1H3
InChIKeyUCSWEPKHZVLRCQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.05
Rot. Bonds3

About 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one

2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one (PubChem CID 5398300) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
PubChem CID5398300
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
SMILESCCc1cc2c(oc(=O)c3ccccc32)c(CN2CCOCC2)c1O
InChIInChI=1S/C20H21NO4/c1-2-13-11-16-14-5-3-4-6-15(14)20(23)25-19(16)17(18(13)22)12-21-7-9-24-10-8-21/h3-6,11,22H,2,7-10,12H2,1H3
InChIKeyUCSWEPKHZVLRCQ-UHFFFAOYSA-N
XLogP3.05
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
CID 5392010
2-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxybenzo[c]chromen-6-one
CID 6008145
2-ethyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxybenzo[c]chromen-6-one
CID 6972993
6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-yl)methyl]chromen-2-one bromide
CID 18531146
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(morpholin-4-ylmethyl)chromen-4-one
CID 71450402
7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)chromen-2-one
CID 6263219
3-benzyl-6-chloro-7-hydroxy-4-methyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 6077520
8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-4-methylchromen-2-one;2,3-dihydroxybutanedioic acid
CID 18593591
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
CID 139658917
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(morpholin-4-ylmethyl)isochromen-1-one
CID 123813735
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The IUPAC name of 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one (CID 5398300) is 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The canonical SMILES for 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one is CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCOCC2)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The InChIKey is UCSWEPKHZVLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-13-11-16-14-5-3-4-6-15(14)20(23)25-19(16)17(18(13)22)12-21-7-9-24-10-8-21/h3-6,11,22H,2,7-10,12H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one has a molecular weight of 339.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one is sourced from PubChem (CID 5398300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).