2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione

C20H14N2O2 — CID 2848229

IUPAC2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
SMILESNC1=C(Nc2cccc3ccccc23)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O2/c21-17-18(20(24)15-10-4-3-9-14(15)19(17)23)22-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,22H,21H2
InChIKeyOLLMRNGHAPKQDP-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.50
Rot. Bonds2

About 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione

2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione (PubChem CID 2848229) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
PubChem CID2848229
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
SMILESNC1=C(Nc2cccc3ccccc23)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O2/c21-17-18(20(24)15-10-4-3-9-14(15)19(17)23)22-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,22H,21H2
InChIKeyOLLMRNGHAPKQDP-UHFFFAOYSA-N
XLogP3.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione 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

2-amino-3-(4-bromoanilino)naphthalene-1,4-dione
CID 4982829
2,3-diaminonaphthalene-1,4-dione
CID 4167268
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
CID 163693095
2-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-5-fluorobenzoic acid;1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 175572470
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
CID 90757689
N-diaminophosphorylnaphthalen-1-amine
CID 24887891
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione?
The IUPAC name of 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione (CID 2848229) is 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione is NC1=C(Nc2cccc3ccccc23)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione?
The InChIKey is OLLMRNGHAPKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-17-18(20(24)15-10-4-3-9-14(15)19(17)23)22-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,22H,21H2.
What are the key properties of 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione?
2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione has a molecular weight of 314.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione is sourced from PubChem (CID 2848229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).