1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione

C24H16N2O2 — CID 13162753

IUPAC1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione
SMILESNc1ccc(Nc2ccc3ccccc3c2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H16N2O2/c25-19-11-12-20(26-16-10-9-14-5-1-2-6-15(14)13-16)22-21(19)23(27)17-7-3-4-8-18(17)24(22)28/h1-13,26H,25H2
InChIKeyNQYPFUVHXIDISB-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.94
Rot. Bonds2

About 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione

1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione (PubChem CID 13162753) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione
PubChem CID13162753
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione
SMILESNc1ccc(Nc2ccc3ccccc3c2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H16N2O2/c25-19-11-12-20(26-16-10-9-14-5-1-2-6-15(14)13-16)22-21(19)23(27)17-7-3-4-8-18(17)24(22)28/h1-13,26H,25H2
InChIKeyNQYPFUVHXIDISB-UHFFFAOYSA-N
XLogP4.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-anilinoanthracene-9,10-dione
CID 20419
CID 157497888
CID 157497888
1-amino-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
CID 142876904
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 62376460
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
CID 139789292
2-[(4-amino-9,10-dioxoanthracen-1-yl)amino]-5-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 123823277
1-amino-4-[3-(5-phenylhexan-3-ylsulfonyl)anilino]anthracene-9,10-dione
CID 58616267
2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
CID 10402224
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione?
The IUPAC name of 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione (CID 13162753) is 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione?
The canonical SMILES for 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione is Nc1ccc(Nc2ccc3ccccc3c2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione?
The InChIKey is NQYPFUVHXIDISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c25-19-11-12-20(26-16-10-9-14-5-1-2-6-15(14)13-16)22-21(19)23(27)17-7-3-4-8-18(17)24(22)28/h1-13,26H,25H2.
What are the key properties of 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione?
1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione has a molecular weight of 364.40 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione is sourced from PubChem (CID 13162753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).