1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C22H14Cl2N2O2 — CID 58607353

IUPAC1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1ccc(Cl)c2c(=O)c3cc4[nH]c5c(C)ccc(Cl)c5c(=O)c4cc3[nH]c12
InChIInChI=1S/C22H14Cl2N2O2/c1-9-3-5-13(23)17-19(9)25-15-7-12-16(8-11(15)21(17)27)26-20-10(2)4-6-14(24)18(20)22(12)28/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBRVQWKHLQATNNK-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.60
Rot. Bonds

About 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 58607353) has the molecular formula C22H14Cl2N2O2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID58607353
Molecular FormulaC22H14Cl2N2O2
Molecular Weight409.27 g/mol
Exact Mass408.04
IUPAC Name1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1ccc(Cl)c2c(=O)c3cc4[nH]c5c(C)ccc(Cl)c5c(=O)c4cc3[nH]c12
InChIInChI=1S/C22H14Cl2N2O2/c1-9-3-5-13(23)17-19(9)25-15-7-12-16(8-11(15)21(17)27)26-20-10(2)4-6-14(24)18(20)22(12)28/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBRVQWKHLQATNNK-UHFFFAOYSA-N
XLogP5.60
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 58607353) is 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is Cc1ccc(Cl)c2c(=O)c3cc4[nH]c5c(C)ccc(Cl)c5c(=O)c4cc3[nH]c12.
What is the InChIKey of 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is BRVQWKHLQATNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2/c1-9-3-5-13(23)17-19(9)25-15-7-12-16(8-11(15)21(17)27)26-20-10(2)4-6-14(24)18(20)22(12)28/h3-8H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 409.27 g/mol, XLogP of 5.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 58607353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).