5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C14H18N2 — CID 126571284

IUPAC5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCn1c2c(c3ccccc31)CN(C)CC2
InChIInChI=1S/C14H18N2/c1-3-16-13-7-5-4-6-11(13)12-10-15(2)9-8-14(12)16/h4-7H,3,8-10H2,1-2H3
InChIKeyMQMPBUZBXSXOML-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.65
Rot. Bonds1

About 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 126571284) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID126571284
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCn1c2c(c3ccccc31)CN(C)CC2
InChIInChI=1S/C14H18N2/c1-3-16-13-7-5-4-6-11(13)12-10-15(2)9-8-14(12)16/h4-7H,3,8-10H2,1-2H3
InChIKeyMQMPBUZBXSXOML-UHFFFAOYSA-N
XLogP2.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
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 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 126571284) is 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCn1c2c(c3ccccc31)CN(C)CC2.
What is the InChIKey of 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is MQMPBUZBXSXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-16-13-7-5-4-6-11(13)12-10-15(2)9-8-14(12)16/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 126571284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).