methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

C13H14N2O2 — CID 23883966

IUPACmethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESCOC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)15-7-6-12-10(8-15)9-4-2-3-5-11(9)14-12/h2-5,14H,6-8H2,1H3
InChIKeyUOENKVDNLSBLGL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.29
Rot. Bonds

About methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (PubChem CID 23883966) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
PubChem CID23883966
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESCOC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)15-7-6-12-10(8-15)9-4-2-3-5-11(9)14-12/h2-5,14H,6-8H2,1H3
InChIKeyUOENKVDNLSBLGL-UHFFFAOYSA-N
XLogP2.29
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.29
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

methyl 8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 113089288
2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 79346688
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
2-(4-methoxyphenoxy)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 46603187
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
N-hydroxy-8-oxo-8-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)octanamide
CID 155670972
N-hydroxy-6-oxo-6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexanamide
CID 155670974
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192
N-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanamide
CID 29147256

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The IUPAC name of methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (CID 23883966) is methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.
What is the SMILES notation for methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The canonical SMILES for methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is COC(=O)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The InChIKey is UOENKVDNLSBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)15-7-6-12-10(8-15)9-4-2-3-5-11(9)14-12/h2-5,14H,6-8H2,1H3.
What are the key properties of methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 23883966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).