8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C14H18N2 — CID 82492828

IUPAC8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCCc1cccc2c3c([nH]c12)C(C)NCC3
InChIInChI=1S/C14H18N2/c1-3-10-5-4-6-11-12-7-8-15-9(2)13(12)16-14(10)11/h4-6,9,15-16H,3,7-8H2,1-2H3
InChIKeyVHLKHYBTRYDESI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.94
Rot. Bonds1

About 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 82492828) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID82492828
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCCc1cccc2c3c([nH]c12)C(C)NCC3
InChIInChI=1S/C14H18N2/c1-3-10-5-4-6-11-12-7-8-15-9(2)13(12)16-14(10)11/h4-6,9,15-16H,3,7-8H2,1-2H3
InChIKeyVHLKHYBTRYDESI-UHFFFAOYSA-N
XLogP2.94
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
CID 83835518
7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84625460
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
(8-methyl-6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanamine
CID 82508927
2-(8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)butanoate
CID 57375133
2-[(10R,13S)-6-ethyl-8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraen-10-yl]acetic acid
CID 14302239
8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495185
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
1-(1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl)ethanone
CID 24844851
8-bromo-7-methyl-1-(naphthalen-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 18933149

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 82492828) is 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is CCc1cccc2c3c([nH]c12)C(C)NCC3.
What is the InChIKey of 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is VHLKHYBTRYDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-10-5-4-6-11-12-7-8-15-9(2)13(12)16-14(10)11/h4-6,9,15-16H,3,7-8H2,1-2H3.
What are the key properties of 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 82492828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).