1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole

C20H18N2O — CID 53322103

IUPAC1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C20H18N2O/c1-14-20-18(9-11-21-14)17-8-7-16(13-19(17)22-20)23-12-10-15-5-3-2-4-6-15/h2-9,11,13,22H,10,12H2,1H3
InChIKeyHVODEZHVACXTKZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.65
Rot. Bonds4

About 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole

1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole (PubChem CID 53322103) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole
PubChem CID53322103
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C20H18N2O/c1-14-20-18(9-11-21-14)17-8-7-16(13-19(17)22-20)23-12-10-15-5-3-2-4-6-15/h2-9,11,13,22H,10,12H2,1H3
InChIKeyHVODEZHVACXTKZ-UHFFFAOYSA-N
XLogP4.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole (CID 53322103) is 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12.
What is the InChIKey of 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is HVODEZHVACXTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-20-18(9-11-21-14)17-8-7-16(13-19(17)22-20)23-12-10-15-5-3-2-4-6-15/h2-9,11,13,22H,10,12H2,1H3.
What are the key properties of 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole?
1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 302.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-phenylethoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 53322103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).