ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate

C16H18N2O4 — CID 54015314

IUPACethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
SMILESCCOC(=O)c1ncc(COC)c2c3c([nH]c12)CCCC3=O
InChIInChI=1S/C16H18N2O4/c1-3-22-16(20)15-14-12(9(7-17-15)8-21-2)13-10(18-14)5-4-6-11(13)19/h7,18H,3-6,8H2,1-2H3
InChIKeyKVFNAJADABUPAS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.40
Rot. Bonds4

About ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate

ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate (PubChem CID 54015314) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
PubChem CID54015314
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
SMILESCCOC(=O)c1ncc(COC)c2c3c([nH]c12)CCCC3=O
InChIInChI=1S/C16H18N2O4/c1-3-22-16(20)15-14-12(9(7-17-15)8-21-2)13-10(18-14)5-4-6-11(13)19/h7,18H,3-6,8H2,1-2H3
InChIKeyKVFNAJADABUPAS-UHFFFAOYSA-N
XLogP2.40
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-6-oxocyclohexene-1-carboxylate
CID 10726108
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
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ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
CID 131456675
ethyl 3-hydroxy-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
CID 59088931
ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
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ethyl 5-cyclobutyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456193
ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate
CID 46914009
2-(3-ethoxycarbonyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetic acid
CID 82590583
methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-4-carboxylate
CID 17229005
ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
CID 141380718
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate (CID 54015314) is ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate is CCOC(=O)c1ncc(COC)c2c3c([nH]c12)CCCC3=O.
What is the InChIKey of ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate?
The InChIKey is KVFNAJADABUPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-22-16(20)15-14-12(9(7-17-15)8-21-2)13-10(18-14)5-4-6-11(13)19/h7,18H,3-6,8H2,1-2H3.
What are the key properties of ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate?
ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate is sourced from PubChem (CID 54015314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).