6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C17H24N2O — CID 122642796

IUPAC6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCc1cc2c3c([nH]c2cc1OC)CN(C(C)C)CC3
InChIInChI=1S/C17H24N2O/c1-5-12-8-14-13-6-7-19(11(2)3)10-16(13)18-15(14)9-17(12)20-4/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyJKPVHRRFDQNJKY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.51
Rot. Bonds3

About 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 122642796) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID122642796
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCc1cc2c3c([nH]c2cc1OC)CN(C(C)C)CC3
InChIInChI=1S/C17H24N2O/c1-5-12-8-14-13-6-7-19(11(2)3)10-16(13)18-15(14)9-17(12)20-4/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyJKPVHRRFDQNJKY-UHFFFAOYSA-N
XLogP3.51
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 122642796) is 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCc1cc2c3c([nH]c2cc1OC)CN(C(C)C)CC3.
What is the InChIKey of 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is JKPVHRRFDQNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-12-8-14-13-6-7-19(11(2)3)10-16(13)18-15(14)9-17(12)20-4/h8-9,11,18H,5-7,10H2,1-4H3.
What are the key properties of 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 272.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 122642796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).