[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate

C19H14N2O2 — CID 7782208

IUPAC[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
SMILESC[C@H](C#N)OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14N2O2/c1-13(12-20)23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11,13H,1H3/t13-/m1/s1
InChIKeyWRXCPYDXJZBRHD-CYBMUJFWSA-N
MW302.33 g/mol
LogP3.97
Rot. Bonds3

About [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate

[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 7782208) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
PubChem CID7782208
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
SMILESC[C@H](C#N)OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H14N2O2/c1-13(12-20)23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11,13H,1H3/t13-/m1/s1
InChIKeyWRXCPYDXJZBRHD-CYBMUJFWSA-N
XLogP3.97
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-cyanoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 7825399
1-cyanoethyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46516996
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135777679
(1-methoxy-1-oxopropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 16568800
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7777394

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate (CID 7782208) is [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate is C[C@H](C#N)OC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is WRXCPYDXJZBRHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13(12-20)23-19(22)16-11-18(14-7-3-2-4-8-14)21-17-10-6-5-9-15(16)17/h2-11,13H,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate?
[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7782208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).