Q182 4-Anilino-1,2-naphthoquinone

C16H11NO2 — CID 344131

IUPAC4-anilinonaphthalene-1,2-dione
SMILESC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChIInChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)19/h1-10,17H
InChIKeyNMSRYZBDOYDJBJ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.70
Rot. Bonds2

About Q182 4-Anilino-1,2-naphthoquinone

Q182 4-Anilino-1,2-naphthoquinone (PubChem CID 344131) has the molecular formula C16H11NO2 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-anilinonaphthalene-1,2-dione.

Molecular Properties

Compound NameQ182 4-Anilino-1,2-naphthoquinone
PubChem CID344131
Molecular FormulaC16H11NO2
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name4-anilinonaphthalene-1,2-dione
SMILESC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChIInChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)19/h1-10,17H
InChIKeyNMSRYZBDOYDJBJ-UHFFFAOYSA-N
XLogP2.70
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity407

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6(5H)-Phenanthridinone
CID 1853
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Phenylamino-1,4-naphthoquinone
CID 81124
Solvent Red 111
CID 6706
2-Phenyl-4-oxohydroquinoline
CID 161091
Benzanilide
CID 7168
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CID 570342
2-Anilino-3-chloro-1,4-naphthoquinone
CID 14161
2-Methylquinolin-4-ol
CID 69089
N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide
CID 9926586
Aurachin D
CID 6124753

Frequently Asked Questions

What is the IUPAC name of Q182 4-Anilino-1,2-naphthoquinone?
The IUPAC name of Q182 4-Anilino-1,2-naphthoquinone (CID 344131) is 4-anilinonaphthalene-1,2-dione.
What is the SMILES notation for Q182 4-Anilino-1,2-naphthoquinone?
The canonical SMILES for Q182 4-Anilino-1,2-naphthoquinone is C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32.
What is the InChIKey of Q182 4-Anilino-1,2-naphthoquinone?
The InChIKey is NMSRYZBDOYDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)19/h1-10,17H.
What are the key properties of Q182 4-Anilino-1,2-naphthoquinone?
Q182 4-Anilino-1,2-naphthoquinone has a molecular weight of 249.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Q182 4-Anilino-1,2-naphthoquinone is sourced from PubChem (CID 344131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).