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

C16H19BrN2O — CID 46907335

IUPAC1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide
SMILESBr.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)C)c12
InChIInChI=1S/C16H18N2O.BrH/c1-10(2)9-18-15-8-12(19)4-5-13(15)14-6-7-17-11(3)16(14)18;/h4-8,10,17H,9H2,1-3H3;1H
InChIKeyQNFLLGWNCSOFBE-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.03
Rot. Bonds2

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

1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide (PubChem CID 46907335) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide.

Molecular Properties

Compound Name1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide
PubChem CID46907335
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide
SMILESBr.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)C)c12
InChIInChI=1S/C16H18N2O.BrH/c1-10(2)9-18-15-8-12(19)4-5-13(15)14-6-7-17-11(3)16(14)18;/h4-8,10,17H,9H2,1-3H3;1H
InChIKeyQNFLLGWNCSOFBE-UHFFFAOYSA-N
XLogP4.03
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The IUPAC name of 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide (CID 46907335) is 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide.
What is the SMILES notation for 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The canonical SMILES for 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide is Br.Cc1[nH]ccc2c3ccc(=O)cc3n(CC(C)C)c12.
What is the InChIKey of 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
The InChIKey is QNFLLGWNCSOFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.BrH/c1-10(2)9-18-15-8-12(19)4-5-13(15)14-6-7-17-11(3)16(14)18;/h4-8,10,17H,9H2,1-3H3;1H.
What are the key properties of 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide?
1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide has a molecular weight of 335.25 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methylpropyl)-2H-pyrido[3,4-b]indol-7-one;hydrobromide is sourced from PubChem (CID 46907335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).