1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole

C19H24N2O — CID 174692648

IUPAC1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole
SMILESCCCOc1ccc2c3ccnc(C)c3n(CC(C)C)c2c1
InChIInChI=1S/C19H24N2O/c1-5-10-22-15-6-7-16-17-8-9-20-14(4)19(17)21(12-13(2)3)18(16)11-15/h6-9,11,13H,5,10,12H2,1-4H3
InChIKeyQXCJXHJDWXRRPX-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.94
Rot. Bonds5

About 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole

1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole (PubChem CID 174692648) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole
PubChem CID174692648
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole
SMILESCCCOc1ccc2c3ccnc(C)c3n(CC(C)C)c2c1
InChIInChI=1S/C19H24N2O/c1-5-10-22-15-6-7-16-17-8-9-20-14(4)19(17)21(12-13(2)3)18(16)11-15/h6-9,11,13H,5,10,12H2,1-4H3
InChIKeyQXCJXHJDWXRRPX-UHFFFAOYSA-N
XLogP4.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
2-[1-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-2-yl]morpholine
CID 90459835
1-methyl-2-(3-methylbutyl)-7-propoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 118733428
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
CID 155541088
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
CID 46704401
4-[7-(deuteriomethoxy)-1-methylpyrido[3,4-b]indol-9-yl]butanenitrile
CID 155682962
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole;hydrobromide
CID 46907529
1-methyl-7-(3-methylbutoxy)-2-(2-methylpropyl)-9-propylpyrido[3,4-b]indol-2-ium
CID 118733441
4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine
CID 90463069
5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
CID 86298685
1,7-dimethyl-9-prop-2-ynylpyrido[3,4-b]indole
CID 158761716

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole (CID 174692648) is 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole is CCCOc1ccc2c3ccnc(C)c3n(CC(C)C)c2c1.
What is the InChIKey of 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole?
The InChIKey is QXCJXHJDWXRRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-10-22-15-6-7-16-17-8-9-20-14(4)19(17)21(12-13(2)3)18(16)11-15/h6-9,11,13H,5,10,12H2,1-4H3.
What are the key properties of 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole?
1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole has a molecular weight of 296.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole is sourced from PubChem (CID 174692648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).