1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile

C17H16N2 — CID 155930767

IUPAC1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
SMILESCN1c2ccccc2C(C#N)CC1c1ccccc1
InChIInChI=1S/C17H16N2/c1-19-16-10-6-5-9-15(16)14(12-18)11-17(19)13-7-3-2-4-8-13/h2-10,14,17H,11H2,1H3
InChIKeyWIJUREWLCBJGSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.87
Rot. Bonds1

About 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile

1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile (PubChem CID 155930767) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
PubChem CID155930767
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
SMILESCN1c2ccccc2C(C#N)CC1c1ccccc1
InChIInChI=1S/C17H16N2/c1-19-16-10-6-5-9-15(16)14(12-18)11-17(19)13-7-3-2-4-8-13/h2-10,14,17H,11H2,1H3
InChIKeyWIJUREWLCBJGSM-UHFFFAOYSA-N
XLogP3.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(2R,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 134997715
N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 134997714
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228
N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
CID 102481161
N,N-diethyl-3-[(2R,4S)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
CID 102481162
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
CID 62707492
2-[2-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carbonitrile
CID 175106318
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
6-deuterio-5-methyl-6-phenylphenanthridine
CID 59051862
(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline
CID 164681332
(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
3-methyl-4-phenyl-1,3-oxazolidine
CID 19920145

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The IUPAC name of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile (CID 155930767) is 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The canonical SMILES for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile is CN1c2ccccc2C(C#N)CC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
The InChIKey is WIJUREWLCBJGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-19-16-10-6-5-9-15(16)14(12-18)11-17(19)13-7-3-2-4-8-13/h2-10,14,17H,11H2,1H3.
What are the key properties of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile?
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile is sourced from PubChem (CID 155930767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).