ethyl 6-hydroxyquinoline-7-carboxylate

C12H11NO3 — CID 133084141

IUPACethyl 6-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc2ncccc2cc1O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-7-10-8(6-11(9)14)4-3-5-13-10/h3-7,14H,2H2,1H3
InChIKeyAUYNWZOBPLRMGQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.12
Rot. Bonds2

About ethyl 6-hydroxyquinoline-7-carboxylate

ethyl 6-hydroxyquinoline-7-carboxylate (PubChem CID 133084141) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 6-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxyquinoline-7-carboxylate
PubChem CID133084141
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 6-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc2ncccc2cc1O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-7-10-8(6-11(9)14)4-3-5-13-10/h3-7,14H,2H2,1H3
InChIKeyAUYNWZOBPLRMGQ-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-hydroxyquinoline-8-carboxylate
CID 134613311
6-methylquinoline-7-carboxamide
CID 142343744
ethyl 1-(6-fluoroquinolin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610524
ethyl selenopheno[2,3-b]pyridine-2-carboxylate
CID 611014
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
CID 68694892
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxyquinoline-7-carboxylate?
The IUPAC name of ethyl 6-hydroxyquinoline-7-carboxylate (CID 133084141) is ethyl 6-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for ethyl 6-hydroxyquinoline-7-carboxylate?
The canonical SMILES for ethyl 6-hydroxyquinoline-7-carboxylate is CCOC(=O)c1cc2ncccc2cc1O.
What is the InChIKey of ethyl 6-hydroxyquinoline-7-carboxylate?
The InChIKey is AUYNWZOBPLRMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-10-8(6-11(9)14)4-3-5-13-10/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 6-hydroxyquinoline-7-carboxylate?
ethyl 6-hydroxyquinoline-7-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-7-carboxylate is sourced from PubChem (CID 133084141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).