7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one

C20H20N2O3 — CID 71551316

IUPAC7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/c3ccc(O)cc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)17-8-5-14-11-15(20(24)25-19(14)12-17)13-21-16-6-9-18(23)10-7-16/h5-13,23H,3-4H2,1-2H3/b21-13+
InChIKeyCMRKCEFFDLGARE-FYJGNVAPSA-N
MW336.39 g/mol
LogP4.10
Rot. Bonds5

About 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one

7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one (PubChem CID 71551316) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one
PubChem CID71551316
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/c3ccc(O)cc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)17-8-5-14-11-15(20(24)25-19(14)12-17)13-21-16-6-9-18(23)10-7-16/h5-13,23H,3-4H2,1-2H3/b21-13+
InChIKeyCMRKCEFFDLGARE-FYJGNVAPSA-N
XLogP4.10
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
CID 170986866
7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one
CID 177401762
7-(diethylamino)-3-[(2-hydroxyphenyl)methylideneamino]chromen-2-one
CID 136745134
3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoic acid
CID 171475352
(E)-3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoic acid
CID 171475354
[(E)-3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enylidene]azanium
CID 166593954
7-[ethyl(methyl)amino]-3-(2-oxopropyliminomethyl)chromen-2-one
CID 158461464
7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
CID 15686898
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
[7-(diethylamino)-2-oxochromen-3-yl] prop-2-enoate
CID 150284417

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one (CID 71551316) is 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=N/c3ccc(O)cc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one?
The InChIKey is CMRKCEFFDLGARE-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-22(4-2)17-8-5-14-11-15(20(24)25-19(14)12-17)13-21-16-6-9-18(23)10-7-16/h5-13,23H,3-4H2,1-2H3/b21-13+.
What are the key properties of 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one?
7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one has a molecular weight of 336.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one is sourced from PubChem (CID 71551316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).