1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole

C13H14N2O — CID 153390249

IUPAC1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole
SMILESCOc1nccc2c3c([nH]c12)C=CC(C)C3
InChIInChI=1S/C13H14N2O/c1-8-3-4-11-10(7-8)9-5-6-14-13(16-2)12(9)15-11/h3-6,8,15H,7H2,1-2H3
InChIKeyFVFLKHXLACYEIF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.78
Rot. Bonds1

About 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole

1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole (PubChem CID 153390249) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole
PubChem CID153390249
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole
SMILESCOc1nccc2c3c([nH]c12)C=CC(C)C3
InChIInChI=1S/C13H14N2O/c1-8-3-4-11-10(7-8)9-5-6-14-13(16-2)12(9)15-11/h3-6,8,15H,7H2,1-2H3
InChIKeyFVFLKHXLACYEIF-UHFFFAOYSA-N
XLogP2.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole?
The IUPAC name of 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole (CID 153390249) is 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole is COc1nccc2c3c([nH]c12)C=CC(C)C3.
What is the InChIKey of 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole?
The InChIKey is FVFLKHXLACYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-3-4-11-10(7-8)9-5-6-14-13(16-2)12(9)15-11/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole?
1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole has a molecular weight of 214.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methyl-6,9-dihydro-5H-pyrido[3,4-b]indole is sourced from PubChem (CID 153390249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).