2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile

C22H18N4O2 — CID 78320233

IUPAC2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile
SMILESCN1C(=O)CCc2cc(-c3cncc(COc4cc(C#N)ccn4)c3)ccc21
InChIInChI=1S/C22H18N4O2/c1-26-20-4-2-17(10-18(20)3-5-22(26)27)19-8-16(12-24-13-19)14-28-21-9-15(11-23)6-7-25-21/h2,4,6-10,12-13H,3,5,14H2,1H3
InChIKeyLQGLBZPDCWIBPI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.50
Rot. Bonds4

About 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile

2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile (PubChem CID 78320233) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile
PubChem CID78320233
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile
SMILESCN1C(=O)CCc2cc(-c3cncc(COc4cc(C#N)ccn4)c3)ccc21
InChIInChI=1S/C22H18N4O2/c1-26-20-4-2-17(10-18(20)3-5-22(26)27)19-8-16(12-24-13-19)14-28-21-9-15(11-23)6-7-25-21/h2,4,6-10,12-13H,3,5,14H2,1H3
InChIKeyLQGLBZPDCWIBPI-UHFFFAOYSA-N
XLogP3.50
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile (CID 78320233) is 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile is CN1C(=O)CCc2cc(-c3cncc(COc4cc(C#N)ccn4)c3)ccc21.
What is the InChIKey of 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile?
The InChIKey is LQGLBZPDCWIBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26-20-4-2-17(10-18(20)3-5-22(26)27)19-8-16(12-24-13-19)14-28-21-9-15(11-23)6-7-25-21/h2,4,6-10,12-13H,3,5,14H2,1H3.
What are the key properties of 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile?
2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 78320233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).