2,3-Dianilinonaphthalene-1,4-dione

C22H16N2O2 — CID 21709698

IUPAC2,3-dianilinonaphthalene-1,4-dione
SMILESC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4
InChIInChI=1S/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)20(24-16-11-5-2-6-12-16)19(21)23-15-9-3-1-4-10-15/h1-14,23-24H
InChIKeyHTQYGVOVAUJXMF-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.10
Rot. Bonds4

About 2,3-Dianilinonaphthalene-1,4-dione

2,3-Dianilinonaphthalene-1,4-dione (PubChem CID 21709698) has the molecular formula C22H16N2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2,3-dianilinonaphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-Dianilinonaphthalene-1,4-dione
PubChem CID21709698
Molecular FormulaC22H16N2O2
Molecular Weight340.40 g/mol
Exact Mass340.12
IUPAC Name2,3-dianilinonaphthalene-1,4-dione
SMILESC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4
InChIInChI=1S/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)20(24-16-11-5-2-6-12-16)19(21)23-15-9-3-1-4-10-15/h1-14,23-24H
InChIKeyHTQYGVOVAUJXMF-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity521

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylamino-1,4-naphthoquinone
CID 81124
2-Phenyl-4-oxohydroquinoline
CID 161091
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CID 570342
2-Anilino-3-chloro-1,4-naphthoquinone
CID 14161
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
4'-Benzoylbenzanilide
CID 88168
Benzamide, N-(2-benzoylphenyl)-
CID 207331
2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
CID 781109
Solvent Blue 68
CID 20419
Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-
CID 79973
2-Amino-3-[(3,5-dimethylphenyl)amino]naphthoquinone
CID 24761574
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150

Frequently Asked Questions

What is the IUPAC name of 2,3-Dianilinonaphthalene-1,4-dione?
The IUPAC name of 2,3-Dianilinonaphthalene-1,4-dione (CID 21709698) is 2,3-dianilinonaphthalene-1,4-dione.
What is the SMILES notation for 2,3-Dianilinonaphthalene-1,4-dione?
The canonical SMILES for 2,3-Dianilinonaphthalene-1,4-dione is C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4.
What is the InChIKey of 2,3-Dianilinonaphthalene-1,4-dione?
The InChIKey is HTQYGVOVAUJXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)20(24-16-11-5-2-6-12-16)19(21)23-15-9-3-1-4-10-15/h1-14,23-24H.
What are the key properties of 2,3-Dianilinonaphthalene-1,4-dione?
2,3-Dianilinonaphthalene-1,4-dione has a molecular weight of 340.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dianilinonaphthalene-1,4-dione is sourced from PubChem (CID 21709698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).