5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile

C16H15N3 — CID 121385664

IUPAC5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
SMILESCN1CCCc2cc(-c3cncc(C#N)c3)ccc21
InChIInChI=1S/C16H15N3/c1-19-6-2-3-14-8-13(4-5-16(14)19)15-7-12(9-17)10-18-11-15/h4-5,7-8,10-11H,2-3,6H2,1H3
InChIKeyLRLZXUXUQXYOOB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.00
Rot. Bonds1

About 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile

5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile (PubChem CID 121385664) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
PubChem CID121385664
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
SMILESCN1CCCc2cc(-c3cncc(C#N)c3)ccc21
InChIInChI=1S/C16H15N3/c1-19-6-2-3-14-8-13(4-5-16(14)19)15-7-12(9-17)10-18-11-15/h4-5,7-8,10-11H,2-3,6H2,1H3
InChIKeyLRLZXUXUQXYOOB-UHFFFAOYSA-N
XLogP3.00
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile
CID 121385730
1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one
CID 123139132
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile
CID 114080987
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
(1-methyl-3,4-dihydro-2H-quinolin-6-yl) thiocyanate
CID 1079755
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile (CID 121385664) is 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile is CN1CCCc2cc(-c3cncc(C#N)c3)ccc21.
What is the InChIKey of 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile?
The InChIKey is LRLZXUXUQXYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-19-6-2-3-14-8-13(4-5-16(14)19)15-7-12(9-17)10-18-11-15/h4-5,7-8,10-11H,2-3,6H2,1H3.
What are the key properties of 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile?
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 121385664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).