9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide

C14H15BrN2O — CID 46907333

IUPAC9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide
SMILESBr.CCn1c2cc(=O)ccc2c2cc[nH]c(C)c21
InChIInChI=1S/C14H14N2O.BrH/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16;/h4-8,15H,3H2,1-2H3;1H
InChIKeyZOQYCPPTWRNFJP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.39
Rot. Bonds1

About 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide

9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide (PubChem CID 46907333) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide.

Molecular Properties

Compound Name9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide
PubChem CID46907333
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide
SMILESBr.CCn1c2cc(=O)ccc2c2cc[nH]c(C)c21
InChIInChI=1S/C14H14N2O.BrH/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16;/h4-8,15H,3H2,1-2H3;1H
InChIKeyZOQYCPPTWRNFJP-UHFFFAOYSA-N
XLogP3.39
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The IUPAC name of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide (CID 46907333) is 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide.
What is the SMILES notation for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The canonical SMILES for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide is Br.CCn1c2cc(=O)ccc2c2cc[nH]c(C)c21.
What is the InChIKey of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The InChIKey is ZOQYCPPTWRNFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.BrH/c1-3-16-13-8-10(17)4-5-11(13)12-6-7-15-9(2)14(12)16;/h4-8,15H,3H2,1-2H3;1H.
What are the key properties of 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide has a molecular weight of 307.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-methyl-2H-pyrido[3,4-b]indol-7-one;hydrobromide is sourced from PubChem (CID 46907333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).