7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole

C13H14N2O — CID 24871290

IUPAC7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole
SMILESCOC1=CC2=NC3=C(CCN=C3C)C2C=C1
InChIInChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFLMVTKWRNRTCGT-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.28
Rot. Bonds1

About 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole

7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 24871290) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole
PubChem CID24871290
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole
SMILESCOC1=CC2=NC3=C(CCN=C3C)C2C=C1
InChIInChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFLMVTKWRNRTCGT-UHFFFAOYSA-N
XLogP2.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline
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2-methoxy-5-propylcyclohepta-1,3,5-triene
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole (CID 24871290) is 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole is COC1=CC2=NC3=C(CCN=C3C)C2C=C1.
What is the InChIKey of 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is FLMVTKWRNRTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole?
7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 214.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 24871290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).