ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate

C15H16N2O2 — CID 137276983

IUPACethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate
SMILESCCOC(=O)C1Cc2[nH]c3ccccc3c2C(C)=N1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)13-8-12-14(9(2)16-13)10-6-4-5-7-11(10)17-12/h4-7,13,17H,3,8H2,1-2H3
InChIKeyZQFMOXSNSYJANM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.46
Rot. Bonds2

About ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate

ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate (PubChem CID 137276983) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate
PubChem CID137276983
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate
SMILESCCOC(=O)C1Cc2[nH]c3ccccc3c2C(C)=N1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)13-8-12-14(9(2)16-13)10-6-4-5-7-11(10)17-12/h4-7,13,17H,3,8H2,1-2H3
InChIKeyZQFMOXSNSYJANM-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139081220
ethyl (1S,12S,15R)-9-azatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate
CID 134194719
ethyl (3R)-1-(1,3-benzodioxol-5-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate
CID 135201763
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
ethyl (1S,3S)-1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 170695108
ethyl 1,1-dimethyl-5,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate
CID 90896810
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride
CID 21179161
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
CID 10488912
ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
CID 3839231
ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25223262
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate (CID 137276983) is ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate is CCOC(=O)C1Cc2[nH]c3ccccc3c2C(C)=N1.
What is the InChIKey of ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate?
The InChIKey is ZQFMOXSNSYJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-19-15(18)13-8-12-14(9(2)16-13)10-6-4-5-7-11(10)17-12/h4-7,13,17H,3,8H2,1-2H3.
What are the key properties of ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate?
ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate is sourced from PubChem (CID 137276983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).