6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane

C24H22Cl2N2O2 — CID 90696873

IUPAC6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane
SMILESCC.Cc1ccc2c(c1)C(=O)C1=C(Cl)C3Nc4ccc(C)cc4C(=O)C3=C(Cl)C1N2
InChIInChI=1S/C22H16Cl2N2O2.C2H6/c1-9-3-5-13-11(7-9)21(27)15-17(23)20-16(18(24)19(15)25-13)22(28)12-8-10(2)4-6-14(12)26-20;1-2/h3-8,19-20,25-26H,1-2H3;1-2H3
InChIKeyKNHWTJIFQPNKEQ-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.98
Rot. Bonds

About 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane

6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane (PubChem CID 90696873) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane.

Molecular Properties

Compound Name6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane
PubChem CID90696873
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane
SMILESCC.Cc1ccc2c(c1)C(=O)C1=C(Cl)C3Nc4ccc(C)cc4C(=O)C3=C(Cl)C1N2
InChIInChI=1S/C22H16Cl2N2O2.C2H6/c1-9-3-5-13-11(7-9)21(27)15-17(23)20-16(18(24)19(15)25-13)22(28)12-8-10(2)4-6-14(12)26-20;1-2/h3-8,19-20,25-26H,1-2H3;1-2H3
InChIKeyKNHWTJIFQPNKEQ-UHFFFAOYSA-N
XLogP5.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane with MolForge

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Related Compounds

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CID 11571880

Frequently Asked Questions

What is the IUPAC name of 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane?
The IUPAC name of 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane (CID 90696873) is 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane.
What is the SMILES notation for 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane?
The canonical SMILES for 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane is CC.Cc1ccc2c(c1)C(=O)C1=C(Cl)C3Nc4ccc(C)cc4C(=O)C3=C(Cl)C1N2.
What is the InChIKey of 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane?
The InChIKey is KNHWTJIFQPNKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2.C2H6/c1-9-3-5-13-11(7-9)21(27)15-17(23)20-16(18(24)19(15)25-13)22(28)12-8-10(2)4-6-14(12)26-20;1-2/h3-8,19-20,25-26H,1-2H3;1-2H3.
What are the key properties of 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane?
6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane has a molecular weight of 441.36 g/mol, XLogP of 5.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane is sourced from PubChem (CID 90696873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).