4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile

C20H24N2Si — CID 73407805

IUPAC4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile
SMILESC[Si](C)(C)CC1CC(c2ccc(C#N)cc2)Nc2ccccc21
InChIInChI=1S/C20H24N2Si/c1-23(2,3)14-17-12-20(16-10-8-15(13-21)9-11-16)22-19-7-5-4-6-18(17)19/h4-11,17,20,22H,12,14H2,1-3H3
InChIKeyNHYPKSVRPPGHGS-UHFFFAOYSA-N
MW320.51 g/mol
LogP5.54
Rot. Bonds3

About 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile

4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile (PubChem CID 73407805) has the molecular formula C20H24N2Si and a molecular weight of 320.51 g/mol. Its IUPAC name is 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile
PubChem CID73407805
Molecular FormulaC20H24N2Si
Molecular Weight320.51 g/mol
Exact Mass320.17
IUPAC Name4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile
SMILESC[Si](C)(C)CC1CC(c2ccc(C#N)cc2)Nc2ccccc21
InChIInChI=1S/C20H24N2Si/c1-23(2,3)14-17-12-20(16-10-8-15(13-21)9-11-16)22-19-7-5-4-6-18(17)19/h4-11,17,20,22H,12,14H2,1-3H3
InChIKeyNHYPKSVRPPGHGS-UHFFFAOYSA-N
XLogP5.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane
CID 102388736
2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 73425029
4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzonitrile
CID 7305158
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
(2S,4S)-2,4-bis(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 102430675
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 10333801
4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile
CID 2358226
trimethyl-[(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]silane
CID 3808194
4-[(2R,5S)-5-methoxypiperidin-2-yl]benzonitrile
CID 125469186
3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837628

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile?
The IUPAC name of 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile (CID 73407805) is 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile is C[Si](C)(C)CC1CC(c2ccc(C#N)cc2)Nc2ccccc21.
What is the InChIKey of 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile?
The InChIKey is NHYPKSVRPPGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2Si/c1-23(2,3)14-17-12-20(16-10-8-15(13-21)9-11-16)22-19-7-5-4-6-18(17)19/h4-11,17,20,22H,12,14H2,1-3H3.
What are the key properties of 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile?
4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile has a molecular weight of 320.51 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trimethylsilylmethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzonitrile is sourced from PubChem (CID 73407805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).