8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole

C20H25N3O2 — CID 137356653

IUPAC8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1COCCN1CCCC1)[nH]c1cc(C)ncc12
InChIInChI=1S/C20H25N3O2/c1-14-9-18-17(12-21-14)16-11-20(24-2)15(10-19(16)22-18)13-25-8-7-23-5-3-4-6-23/h9-12,22H,3-8,13H2,1-2H3
InChIKeyBSRHIYISYXEORD-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds6

About 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole

8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole (PubChem CID 137356653) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole
PubChem CID137356653
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1COCCN1CCCC1)[nH]c1cc(C)ncc12
InChIInChI=1S/C20H25N3O2/c1-14-9-18-17(12-21-14)16-11-20(24-2)15(10-19(16)22-18)13-25-8-7-23-5-3-4-6-23/h9-12,22H,3-8,13H2,1-2H3
InChIKeyBSRHIYISYXEORD-UHFFFAOYSA-N
XLogP3.65
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole;hydrochloride
CID 137356805
1,8-dimethyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole
CID 158562894
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
N,N-diethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356420
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
CID 130345698
4-(azetidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356284
8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137357364
4-cyclopentyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356172
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 118607473
1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356310

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole (CID 137356653) is 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole is COc1cc2c(cc1COCCN1CCCC1)[nH]c1cc(C)ncc12.
What is the InChIKey of 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole?
The InChIKey is BSRHIYISYXEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-9-18-17(12-21-14)16-11-20(24-2)15(10-19(16)22-18)13-25-8-7-23-5-3-4-6-23/h9-12,22H,3-8,13H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole?
8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole has a molecular weight of 339.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 137356653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).