3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one

C20H27N3O2 — CID 100989983

IUPAC3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one
SMILESCCN(CC)C1=CC(=O)/C(=N\c2ccc(N(CC)CC)cc2O)C=C1
InChIInChI=1S/C20H27N3O2/c1-5-22(6-2)15-9-11-17(19(24)13-15)21-18-12-10-16(14-20(18)25)23(7-3)8-4/h9-14,24H,5-8H2,1-4H3/b21-18-
InChIKeyXJIQXVWSCLNZGE-UZYVYHOESA-N
MW341.46 g/mol
LogP3.68
Rot. Bonds7

About 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one

3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one (PubChem CID 100989983) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one
PubChem CID100989983
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one
SMILESCCN(CC)C1=CC(=O)/C(=N\c2ccc(N(CC)CC)cc2O)C=C1
InChIInChI=1S/C20H27N3O2/c1-5-22(6-2)15-9-11-17(19(24)13-15)21-18-12-10-16(14-20(18)25)23(7-3)8-4/h9-14,24H,5-8H2,1-4H3/b21-18-
InChIKeyXJIQXVWSCLNZGE-UZYVYHOESA-N
XLogP3.68
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one
CID 6193928
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
CID 137280947
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
(6Z)-3-(dibutylamino)-6-[3-[4-(dibutylamino)-2-hydroxyphenyl]-4-oxo-2-sulfanylcyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one
CID 177401248
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
CID 135608509
11,23-bis[[4-(diethylamino)-2-methylphenyl]imino]-26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,12,15,17,19(26),21-decaene-25,27-dione
CID 15265890
3-(N-ethyl-3-hydroxy-4-nitrosoanilino)propane-1-sulfonic acid;hydrochloride
CID 88744843
6-amino-2-chloro-4-[4-(diethylamino)-2-methylphenyl]imino-3-ethylcyclohexa-2,5-dien-1-one
CID 144909441

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one?
The IUPAC name of 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one (CID 100989983) is 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one?
The canonical SMILES for 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one is CCN(CC)C1=CC(=O)/C(=N\c2ccc(N(CC)CC)cc2O)C=C1.
What is the InChIKey of 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one?
The InChIKey is XJIQXVWSCLNZGE-UZYVYHOESA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-22(6-2)15-9-11-17(19(24)13-15)21-18-12-10-16(14-20(18)25)23(7-3)8-4/h9-14,24H,5-8H2,1-4H3/b21-18-.
What are the key properties of 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one?
3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 100989983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).