2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile

C17H14N2 — CID 15033251

IUPAC2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile
SMILESCC1Nc2ccccc2C(c2ccccc2)=C1C#N
InChIInChI=1S/C17H14N2/c1-12-15(11-18)17(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10,12,19H,1H3
InChIKeySYLHCXJPYVFEIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.83
Rot. Bonds1

About 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile

2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile (PubChem CID 15033251) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile
PubChem CID15033251
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile
SMILESCC1Nc2ccccc2C(c2ccccc2)=C1C#N
InChIInChI=1S/C17H14N2/c1-12-15(11-18)17(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10,12,19H,1H3
InChIKeySYLHCXJPYVFEIN-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile?
The IUPAC name of 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile (CID 15033251) is 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile?
The canonical SMILES for 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile is CC1Nc2ccccc2C(c2ccccc2)=C1C#N.
What is the InChIKey of 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile?
The InChIKey is SYLHCXJPYVFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-12-15(11-18)17(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10,12,19H,1H3.
What are the key properties of 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile?
2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,2-dihydroquinoline-3-carbonitrile is sourced from PubChem (CID 15033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).