6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole

C22H16N2O — CID 59620153

IUPAC6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1
InChIInChI=1S/C22H16N2O/c1-25-15-9-10-20-19(13-15)18-11-12-23-21(22(18)24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-13,24H,1H3
InChIKeyAABFWJDLCCDJJN-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.54
Rot. Bonds2

About 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole

6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole (PubChem CID 59620153) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole
PubChem CID59620153
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1
InChIInChI=1S/C22H16N2O/c1-25-15-9-10-20-19(13-15)18-11-12-23-21(22(18)24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-13,24H,1H3
InChIKeyAABFWJDLCCDJJN-UHFFFAOYSA-N
XLogP5.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole (CID 59620153) is 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole is COc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1.
What is the InChIKey of 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole?
The InChIKey is AABFWJDLCCDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-25-15-9-10-20-19(13-15)18-11-12-23-21(22(18)24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-13,24H,1H3.
What are the key properties of 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole?
6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole has a molecular weight of 324.38 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 59620153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).