6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole

C22H16N2O — CID 57334438

IUPAC6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(-c4ccco4)c3)cc12
InChIInChI=1S/C22H16N2O/c1-14-22-18(9-10-23-14)19-13-16(7-8-20(19)24-22)15-4-2-5-17(12-15)21-6-3-11-25-21/h2-13,24H,1H3
InChIKeyIYHTXIFEDVEBGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.95
Rot. Bonds2

About 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole

6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 57334438) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID57334438
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(-c4ccco4)c3)cc12
InChIInChI=1S/C22H16N2O/c1-14-22-18(9-10-23-14)19-13-16(7-8-20(19)24-22)15-4-2-5-17(12-15)21-6-3-11-25-21/h2-13,24H,1H3
InChIKeyIYHTXIFEDVEBGV-UHFFFAOYSA-N
XLogP5.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole (CID 57334438) is 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1ccc(-c3cccc(-c4ccco4)c3)cc12.
What is the InChIKey of 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is IYHTXIFEDVEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-14-22-18(9-10-23-14)19-13-16(7-8-20(19)24-22)15-4-2-5-17(12-15)21-6-3-11-25-21/h2-13,24H,1H3.
What are the key properties of 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole?
6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 324.38 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(furan-2-yl)phenyl]-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 57334438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).