ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C15H14N2O3 — CID 13134017

IUPACethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1C
InChIInChI=1S/C15H14N2O3/c1-3-20-15(19)14-8(2)13-10-6-9(18)4-5-11(10)17-12(13)7-16-14/h4-7,17-18H,3H2,1-2H3
InChIKeyNHPTYLXWUNPVSI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.91
Rot. Bonds2

About ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13134017) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13134017
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1C
InChIInChI=1S/C15H14N2O3/c1-3-20-15(19)14-8(2)13-10-6-9(18)4-5-11(10)17-12(13)7-16-14/h4-7,17-18H,3H2,1-2H3
InChIKeyNHPTYLXWUNPVSI-UHFFFAOYSA-N
XLogP2.91
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13133996
ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13371564
ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134028
ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134021
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040
ethyl 4-ethyl-6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54406749
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13134017) is ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1C.
What is the InChIKey of ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is NHPTYLXWUNPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-3-20-15(19)14-8(2)13-10-6-9(18)4-5-11(10)17-12(13)7-16-14/h4-7,17-18H,3H2,1-2H3.
What are the key properties of ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13134017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).