6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

C17H22N2O — CID 45213585

IUPAC6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c3c([nH]c12)CCN(CC1CCCO1)C3
InChIInChI=1S/C17H22N2O/c1-12-4-2-6-14-15-11-19(10-13-5-3-9-20-13)8-7-16(15)18-17(12)14/h2,4,6,13,18H,3,5,7-11H2,1H3
InChIKeyDOXYADKNVWEUKU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.01
Rot. Bonds2

About 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 45213585) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID45213585
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c3c([nH]c12)CCN(CC1CCCO1)C3
InChIInChI=1S/C17H22N2O/c1-12-4-2-6-14-15-11-19(10-13-5-3-9-20-13)8-7-16(15)18-17(12)14/h2,4,6,13,18H,3,5,7-11H2,1H3
InChIKeyDOXYADKNVWEUKU-UHFFFAOYSA-N
XLogP3.01
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
6-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821096
(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 97119685
(1R)-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-thiophen-2-ylethanol
CID 51586804
6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335339
[5-methyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46970590
4-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 46972552
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
4-[(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-2-methyl-1,3-oxazole
CID 70784040
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 45213585) is 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1cccc2c3c([nH]c12)CCN(CC1CCCO1)C3.
What is the InChIKey of 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is DOXYADKNVWEUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-4-2-6-14-15-11-19(10-13-5-3-9-20-13)8-7-16(15)18-17(12)14/h2,4,6,13,18H,3,5,7-11H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 270.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 45213585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).