(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile

C18H18N2 — CID 15304179

IUPAC(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
SMILESC[C@H](c1ccccc1)N1c2ccccc2CC[C@H]1C#N
InChIInChI=1S/C18H18N2/c1-14(15-7-3-2-4-8-15)20-17(13-19)12-11-16-9-5-6-10-18(16)20/h2-10,14,17H,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyOZKZNNBHNMEPJL-PBHICJAKSA-N
MW262.36 g/mol
LogP4.09
Rot. Bonds2

About (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile

(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile (PubChem CID 15304179) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
PubChem CID15304179
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
SMILESC[C@H](c1ccccc1)N1c2ccccc2CC[C@H]1C#N
InChIInChI=1S/C18H18N2/c1-14(15-7-3-2-4-8-15)20-17(13-19)12-11-16-9-5-6-10-18(16)20/h2-10,14,17H,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyOZKZNNBHNMEPJL-PBHICJAKSA-N
XLogP4.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile?
The IUPAC name of (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile (CID 15304179) is (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile?
The canonical SMILES for (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile is C[C@H](c1ccccc1)N1c2ccccc2CC[C@H]1C#N.
What is the InChIKey of (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile?
The InChIKey is OZKZNNBHNMEPJL-PBHICJAKSA-N. The full InChI is InChI=1S/C18H18N2/c1-14(15-7-3-2-4-8-15)20-17(13-19)12-11-16-9-5-6-10-18(16)20/h2-10,14,17H,11-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile?
(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile is sourced from PubChem (CID 15304179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).