5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H18N2O — CID 59455126

IUPAC5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C#Cc2ccoc2)CCN(C)C1
InChIInChI=1S/C19H18N2O/c1-14-3-4-18-16(11-14)17-12-20(2)8-6-19(17)21(18)9-5-15-7-10-22-13-15/h3-4,7,10-11,13H,6,8,12H2,1-2H3
InChIKeyLPJXAWADJISGMD-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.39
Rot. Bonds

About 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 59455126) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID59455126
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C#Cc2ccoc2)CCN(C)C1
InChIInChI=1S/C19H18N2O/c1-14-3-4-18-16(11-14)17-12-20(2)8-6-19(17)21(18)9-5-15-7-10-22-13-15/h3-4,7,10-11,13H,6,8,12H2,1-2H3
InChIKeyLPJXAWADJISGMD-UHFFFAOYSA-N
XLogP3.39
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 59455126) is 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2C#Cc2ccoc2)CCN(C)C1.
What is the InChIKey of 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is LPJXAWADJISGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-3-4-18-16(11-14)17-12-20(2)8-6-19(17)21(18)9-5-15-7-10-22-13-15/h3-4,7,10-11,13H,6,8,12H2,1-2H3.
What are the key properties of 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 290.37 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-3-yl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 59455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).