7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one

C21H21N3O3 — CID 177401762

IUPAC7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/N=C/c3ccccc3O)c(=O)oc2c1
InChIInChI=1S/C21H21N3O3/c1-3-24(4-2)18-10-9-15-11-17(21(26)27-20(15)12-18)14-23-22-13-16-7-5-6-8-19(16)25/h5-14,25H,3-4H2,1-2H3/b22-13+,23-14+
InChIKeyYURQXXKHAZRSKT-MSKUYSOUSA-N
MW363.42 g/mol
LogP3.80
Rot. Bonds6

About 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one

7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one (PubChem CID 177401762) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one
PubChem CID177401762
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/N=C/c3ccccc3O)c(=O)oc2c1
InChIInChI=1S/C21H21N3O3/c1-3-24(4-2)18-10-9-15-11-17(21(26)27-20(15)12-18)14-23-22-13-16-7-5-6-8-19(16)25/h5-14,25H,3-4H2,1-2H3/b22-13+,23-14+
InChIKeyYURQXXKHAZRSKT-MSKUYSOUSA-N
XLogP3.80
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-3-[(2-hydroxyphenyl)methylideneamino]chromen-2-one
CID 136745134
7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
CID 170986866
7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one
CID 71551316
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)-3-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]chromen-2-one
CID 89098687
7-(diethylamino)-3-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 136748921
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
7-(diethylamino)-3-[(E)-2-(3-methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]chromen-2-one
CID 140785647

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one (CID 177401762) is 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=N/N=C/c3ccccc3O)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one?
The InChIKey is YURQXXKHAZRSKT-MSKUYSOUSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24(4-2)18-10-9-15-11-17(21(26)27-20(15)12-18)14-23-22-13-16-7-5-6-8-19(16)25/h5-14,25H,3-4H2,1-2H3/b22-13+,23-14+.
What are the key properties of 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one?
7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one has a molecular weight of 363.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]chromen-2-one is sourced from PubChem (CID 177401762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).