2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

C17H23N3O2 — CID 10086232

IUPAC2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
SMILESCN(C)CCOC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3
InChIInChI=1S/C17H23N3O2/c1-19(2)8-9-22-17(21)12-4-5-15-13(10-12)14-11-20(3)7-6-16(14)18-15/h4-5,10,18H,6-9,11H2,1-3H3
InChIKeyOXHLBWIJRKDFMA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.87
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate (PubChem CID 10086232) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
PubChem CID10086232
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
SMILESCN(C)CCOC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3
InChIInChI=1S/C17H23N3O2/c1-19(2)8-9-22-17(21)12-4-5-15-13(10-12)14-11-20(3)7-6-16(14)18-15/h4-5,10,18H,6-9,11H2,1-3H3
InChIKeyOXHLBWIJRKDFMA-UHFFFAOYSA-N
XLogP1.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 5-ethylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;benzyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 158314893
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
methyl 2-(4-methoxycarbonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32756389
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414
2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 56766556
methyl 2-(2,3-dihydro-1H-indene-5-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757669
methyl 2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757120
2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 167868989
methyl 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 133335451
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2449280
N-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 154764390
methyl 2-(2-hydroxy-4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 38497321

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate (CID 10086232) is 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate is CN(C)CCOC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
The InChIKey is OXHLBWIJRKDFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(2)8-9-22-17(21)12-4-5-15-13(10-12)14-11-20(3)7-6-16(14)18-15/h4-5,10,18H,6-9,11H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate?
2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate is sourced from PubChem (CID 10086232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).