ethyl 8-hydroxyisoquinoline-6-carboxylate

C12H11NO3 — CID 137117771

IUPACethyl 8-hydroxyisoquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(O)c2cnccc2c1
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-5-8-3-4-13-7-10(8)11(14)6-9/h3-7,14H,2H2,1H3
InChIKeyFBNUVWCJGNSFTP-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.12
Rot. Bonds2

About ethyl 8-hydroxyisoquinoline-6-carboxylate

ethyl 8-hydroxyisoquinoline-6-carboxylate (PubChem CID 137117771) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 8-hydroxyisoquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxyisoquinoline-6-carboxylate
PubChem CID137117771
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 8-hydroxyisoquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(O)c2cnccc2c1
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-5-8-3-4-13-7-10(8)11(14)6-9/h3-7,14H,2H2,1H3
InChIKeyFBNUVWCJGNSFTP-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
ethyl 4-hydroxy-6-methylsulfanylnaphthalene-2-carboxylate
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CID 71748439
ethyl 1-hydroxyphenanthrene-3-carboxylate
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ethyl 4-(3-hydroxy-4-pyridinyl)benzoate
CID 58941031
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331

Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxyisoquinoline-6-carboxylate?
The IUPAC name of ethyl 8-hydroxyisoquinoline-6-carboxylate (CID 137117771) is ethyl 8-hydroxyisoquinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-hydroxyisoquinoline-6-carboxylate?
The canonical SMILES for ethyl 8-hydroxyisoquinoline-6-carboxylate is CCOC(=O)c1cc(O)c2cnccc2c1.
What is the InChIKey of ethyl 8-hydroxyisoquinoline-6-carboxylate?
The InChIKey is FBNUVWCJGNSFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)9-5-8-3-4-13-7-10(8)11(14)6-9/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 8-hydroxyisoquinoline-6-carboxylate?
ethyl 8-hydroxyisoquinoline-6-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxyisoquinoline-6-carboxylate is sourced from PubChem (CID 137117771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).