10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide

C18H23IN2O — CID 138400322

IUPAC10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide
SMILESCOC1=CC2C3C4=C(C=CC3N(C)C2C=C1)C=CN(C)C4.I
InChIInChI=1S/C18H22N2O.HI/c1-19-9-8-12-4-6-17-18(15(12)11-19)14-10-13(21-3)5-7-16(14)20(17)2;/h4-10,14,16-18H,11H2,1-3H3;1H
InChIKeyCGIUTEMPEHNWNO-UHFFFAOYSA-N
MW410.30 g/mol
LogP2.94
Rot. Bonds1

About 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide

10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide (PubChem CID 138400322) has the molecular formula C18H23IN2O and a molecular weight of 410.30 g/mol. Its IUPAC name is 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide.

Molecular Properties

Compound Name10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide
PubChem CID138400322
Molecular FormulaC18H23IN2O
Molecular Weight410.30 g/mol
Exact Mass410.09
IUPAC Name10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide
SMILESCOC1=CC2C3C4=C(C=CC3N(C)C2C=C1)C=CN(C)C4.I
InChIInChI=1S/C18H22N2O.HI/c1-19-9-8-12-4-6-17-18(15(12)11-19)14-10-13(21-3)5-7-16(14)20(17)2;/h4-10,14,16-18H,11H2,1-3H3;1H
InChIKeyCGIUTEMPEHNWNO-UHFFFAOYSA-N
XLogP2.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide?
The IUPAC name of 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide (CID 138400322) is 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide.
What is the SMILES notation for 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide?
The canonical SMILES for 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide is COC1=CC2C3C4=C(C=CC3N(C)C2C=C1)C=CN(C)C4.I.
What is the InChIKey of 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide?
The InChIKey is CGIUTEMPEHNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.HI/c1-19-9-8-12-4-6-17-18(15(12)11-19)14-10-13(21-3)5-7-16(14)20(17)2;/h4-10,14,16-18H,11H2,1-3H3;1H.
What are the key properties of 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide?
10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide has a molecular weight of 410.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2,7-dimethyl-6a,7a,11a,11b-tetrahydro-1H-pyrido[4,3-c]carbazole;hydroiodide is sourced from PubChem (CID 138400322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).