6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione

C22H14N2O3 — CID 59235910

IUPAC6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione
SMILESCNc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14N2O3/c1-23-16-10-14-19(24-15-9-5-4-8-13(15)20(14)25)18-17(16)21(26)11-6-2-3-7-12(11)22(18)27/h2-10,23H,1H3,(H,24,25)
InChIKeyKWXAXOHXXPVKEL-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.50
Rot. Bonds1

About 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione

6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione (PubChem CID 59235910) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione.

Molecular Properties

Compound Name6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione
PubChem CID59235910
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione
SMILESCNc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14N2O3/c1-23-16-10-14-19(24-15-9-5-4-8-13(15)20(14)25)18-17(16)21(26)11-6-2-3-7-12(11)22(18)27/h2-10,23H,1H3,(H,24,25)
InChIKeyKWXAXOHXXPVKEL-UHFFFAOYSA-N
XLogP3.50
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.50
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The IUPAC name of 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione (CID 59235910) is 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione.
What is the SMILES notation for 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The canonical SMILES for 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione is CNc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The InChIKey is KWXAXOHXXPVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c1-23-16-10-14-19(24-15-9-5-4-8-13(15)20(14)25)18-17(16)21(26)11-6-2-3-7-12(11)22(18)27/h2-10,23H,1H3,(H,24,25).
What are the key properties of 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione?
6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione has a molecular weight of 354.37 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-13H-naphtho[2,3-c]acridine-5,8,14-trione is sourced from PubChem (CID 59235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).