6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione

C23H15NO3 — CID 20828072

IUPAC6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione
SMILESCc1c2c(c3[nH]c4ccccc4c(=O)c3c1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15NO3/c1-11-12(2)18-20(24-16-10-6-5-9-15(16)23(18)27)19-17(11)21(25)13-7-3-4-8-14(13)22(19)26/h3-10H,1-2H3,(H,24,27)
InChIKeyUKYVYHKRRHTQQS-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.07
Rot. Bonds

About 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione

6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione (PubChem CID 20828072) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione.

Molecular Properties

Compound Name6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione
PubChem CID20828072
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione
SMILESCc1c2c(c3[nH]c4ccccc4c(=O)c3c1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15NO3/c1-11-12(2)18-20(24-16-10-6-5-9-15(16)23(18)27)19-17(11)21(25)13-7-3-4-8-14(13)22(19)26/h3-10H,1-2H3,(H,24,27)
InChIKeyUKYVYHKRRHTQQS-UHFFFAOYSA-N
XLogP4.07
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The IUPAC name of 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione (CID 20828072) is 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione.
What is the SMILES notation for 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The canonical SMILES for 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione is Cc1c2c(c3[nH]c4ccccc4c(=O)c3c1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione?
The InChIKey is UKYVYHKRRHTQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c1-11-12(2)18-20(24-16-10-6-5-9-15(16)23(18)27)19-17(11)21(25)13-7-3-4-8-14(13)22(19)26/h3-10H,1-2H3,(H,24,27).
What are the key properties of 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione?
6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione has a molecular weight of 353.38 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-13H-naphtho[2,3-c]acridine-5,8,14-trione is sourced from PubChem (CID 20828072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).