ethyl 6-hydroxyquinoline-8-carboxylate

C12H11NO3 — CID 134613311

IUPACethyl 6-hydroxyquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(O)cc2cccnc12
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)10-7-9(14)6-8-4-3-5-13-11(8)10/h3-7,14H,2H2,1H3
InChIKeyBCBGGRQGWPFYJC-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.12
Rot. Bonds2

About ethyl 6-hydroxyquinoline-8-carboxylate

ethyl 6-hydroxyquinoline-8-carboxylate (PubChem CID 134613311) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 6-hydroxyquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxyquinoline-8-carboxylate
PubChem CID134613311
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 6-hydroxyquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(O)cc2cccnc12
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)10-7-9(14)6-8-4-3-5-13-11(8)10/h3-7,14H,2H2,1H3
InChIKeyBCBGGRQGWPFYJC-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 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 8-methylfuro[2,3-h]quinoline-6-carboxylate
CID 51350321
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
ethyl selenopheno[2,3-b]pyridine-2-carboxylate
CID 611014
ethyl thieno[3,2-b]pyridine-3-carboxylate
CID 141156722
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 6-hydroxyisoquinoline-1-carboxylate
CID 136951521

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxyquinoline-8-carboxylate?
The IUPAC name of ethyl 6-hydroxyquinoline-8-carboxylate (CID 134613311) is ethyl 6-hydroxyquinoline-8-carboxylate.
What is the SMILES notation for ethyl 6-hydroxyquinoline-8-carboxylate?
The canonical SMILES for ethyl 6-hydroxyquinoline-8-carboxylate is CCOC(=O)c1cc(O)cc2cccnc12.
What is the InChIKey of ethyl 6-hydroxyquinoline-8-carboxylate?
The InChIKey is BCBGGRQGWPFYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)10-7-9(14)6-8-4-3-5-13-11(8)10/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 6-hydroxyquinoline-8-carboxylate?
ethyl 6-hydroxyquinoline-8-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 6-hydroxyquinoline-8-carboxylate is sourced from PubChem (CID 134613311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).