1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile

C16H19N3O — CID 115245023

IUPAC1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1C(=O)CCc2cc(NCC3(C#N)CCC3)ccc21
InChIInChI=1S/C16H19N3O/c1-19-14-5-4-13(9-12(14)3-6-15(19)20)18-11-16(10-17)7-2-8-16/h4-5,9,18H,2-3,6-8,11H2,1H3
InChIKeyPJMTVHLYTRGVJR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.70
Rot. Bonds3

About 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile

1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245023) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245023
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1C(=O)CCc2cc(NCC3(C#N)CCC3)ccc21
InChIInChI=1S/C16H19N3O/c1-19-14-5-4-13(9-12(14)3-6-15(19)20)18-11-16(10-17)7-2-8-16/h4-5,9,18H,2-3,6-8,11H2,1H3
InChIKeyPJMTVHLYTRGVJR-UHFFFAOYSA-N
XLogP2.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile (CID 115245023) is 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile is CN1C(=O)CCc2cc(NCC3(C#N)CCC3)ccc21.
What is the InChIKey of 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is PJMTVHLYTRGVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-14-5-4-13(9-12(14)3-6-15(19)20)18-11-16(10-17)7-2-8-16/h4-5,9,18H,2-3,6-8,11H2,1H3.
What are the key properties of 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile?
1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).