2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile

C19H20N4O2 — CID 133396864

IUPAC2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCOc2ccc3c(c2)CCC(=O)N3)c(C#N)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-9-18(16(11-20)13(2)22-12)21-7-8-25-15-4-5-17-14(10-15)3-6-19(24)23-17/h4-5,9-10H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyNNXLGCZBBACQCZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.95
Rot. Bonds5

About 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 133396864) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile
PubChem CID133396864
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCOc2ccc3c(c2)CCC(=O)N3)c(C#N)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-9-18(16(11-20)13(2)22-12)21-7-8-25-15-4-5-17-14(10-15)3-6-19(24)23-17/h4-5,9-10H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyNNXLGCZBBACQCZ-UHFFFAOYSA-N
XLogP2.95
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 133297263
6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78897900
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78892140
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 81273879
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile (CID 133396864) is 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile is Cc1cc(NCCOc2ccc3c(c2)CCC(=O)N3)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile?
The InChIKey is NNXLGCZBBACQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-9-18(16(11-20)13(2)22-12)21-7-8-25-15-4-5-17-14(10-15)3-6-19(24)23-17/h4-5,9-10H,3,6-8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).