4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile

C22H18N2 — CID 166445952

IUPAC4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c23-16-17-10-13-20(14-11-17)24-21-9-5-4-8-19(21)12-15-22(24)18-6-2-1-3-7-18/h1-11,13-14,22H,12,15H2/t22-/m1/s1
InChIKeyNFALAALYEGDANG-JOCHJYFZSA-N
MW310.40 g/mol
LogP5.38
Rot. Bonds2

About 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile

4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile (PubChem CID 166445952) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile
PubChem CID166445952
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c23-16-17-10-13-20(14-11-17)24-21-9-5-4-8-19(21)12-15-22(24)18-6-2-1-3-7-18/h1-11,13-14,22H,12,15H2/t22-/m1/s1
InChIKeyNFALAALYEGDANG-JOCHJYFZSA-N
XLogP5.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile?
The IUPAC name of 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile (CID 166445952) is 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile is N#Cc1ccc(N2c3ccccc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile?
The InChIKey is NFALAALYEGDANG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18N2/c23-16-17-10-13-20(14-11-17)24-21-9-5-4-8-19(21)12-15-22(24)18-6-2-1-3-7-18/h1-11,13-14,22H,12,15H2/t22-/m1/s1.
What are the key properties of 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile?
4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-phenyl-3,4-dihydro-2H-quinolin-1-yl]benzonitrile is sourced from PubChem (CID 166445952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).