8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

C17H20Cl2N2 — CID 23532180

IUPAC8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
SMILESCC1c2c([nH]c3cc(Cl)c(Cl)cc23)CC2CCN(C)CC21
InChIInChI=1S/C17H20Cl2N2/c1-9-12-8-21(2)4-3-10(12)5-16-17(9)11-6-13(18)14(19)7-15(11)20-16/h6-7,9-10,12,20H,3-5,8H2,1-2H3
InChIKeyUEAKXCHESFVOJA-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.70
Rot. Bonds

About 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole (PubChem CID 23532180) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole.

Molecular Properties

Compound Name8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
PubChem CID23532180
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
SMILESCC1c2c([nH]c3cc(Cl)c(Cl)cc23)CC2CCN(C)CC21
InChIInChI=1S/C17H20Cl2N2/c1-9-12-8-21(2)4-3-10(12)5-16-17(9)11-6-13(18)14(19)7-15(11)20-16/h6-7,9-10,12,20H,3-5,8H2,1-2H3
InChIKeyUEAKXCHESFVOJA-UHFFFAOYSA-N
XLogP4.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The IUPAC name of 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole (CID 23532180) is 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole.
What is the SMILES notation for 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The canonical SMILES for 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole is CC1c2c([nH]c3cc(Cl)c(Cl)cc23)CC2CCN(C)CC21.
What is the InChIKey of 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The InChIKey is UEAKXCHESFVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-9-12-8-21(2)4-3-10(12)5-16-17(9)11-6-13(18)14(19)7-15(11)20-16/h6-7,9-10,12,20H,3-5,8H2,1-2H3.
What are the key properties of 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole has a molecular weight of 323.27 g/mol, XLogP of 4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole is sourced from PubChem (CID 23532180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).