ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate

C21H18N2O2 — CID 3782038

IUPACethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc3ccccc3n2)=Cc2ccccc21
InChIInChI=1S/C21H18N2O2/c1-2-25-21(24)23-14-17(13-16-8-4-6-10-20(16)23)19-12-11-15-7-3-5-9-18(15)22-19/h3-13H,2,14H2,1H3
InChIKeyIUJFJJXCFIIOQZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.75
Rot. Bonds2

About ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate

ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate (PubChem CID 3782038) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate
PubChem CID3782038
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Nameethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc3ccccc3n2)=Cc2ccccc21
InChIInChI=1S/C21H18N2O2/c1-2-25-21(24)23-14-17(13-16-8-4-6-10-20(16)23)19-12-11-15-7-3-5-9-18(15)22-19/h3-13H,2,14H2,1H3
InChIKeyIUJFJJXCFIIOQZ-UHFFFAOYSA-N
XLogP4.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Pinacyanol chloride
CID 6364575
Laurolinium Acetate
CID 67354
Carbocyanine
CID 5463350
1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium
CID 1551050
Pseudoisocyanine chloride
CID 5717105
Benzenamine, N,N-dimethyl-4-[2-(2-quinolinyl)ethenyl]-
CID 5721990
Centhaquine
CID 162163
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
1,1'-Diethyl-2,2'-dicarbocyanine iodide
CID 5702691
3-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 11304596
Methyl (3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)carbamate
CID 49850672

Frequently Asked Questions

What is the IUPAC name of ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate (CID 3782038) is ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate is CCOC(=O)N1CC(c2ccc3ccccc3n2)=Cc2ccccc21.
What is the InChIKey of ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate?
The InChIKey is IUJFJJXCFIIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-25-21(24)23-14-17(13-16-8-4-6-10-20(16)23)19-12-11-15-7-3-5-9-18(15)22-19/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate?
ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-quinolin-2-yl-2H-quinoline-1-carboxylate is sourced from PubChem (CID 3782038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).