2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile

C16H17N3 — CID 63884111

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
SMILESCC1CC1CN(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H17N3/c1-11-7-13(11)10-19(2)16-8-12(9-17)14-5-3-4-6-15(14)18-16/h3-6,8,11,13H,7,10H2,1-2H3
InChIKeyPORYYTOESLUPMR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.20
Rot. Bonds3

About 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile

2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile (PubChem CID 63884111) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
PubChem CID63884111
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
SMILESCC1CC1CN(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H17N3/c1-11-7-13(11)10-19(2)16-8-12(9-17)14-5-3-4-6-15(14)18-16/h3-6,8,11,13H,7,10H2,1-2H3
InChIKeyPORYYTOESLUPMR-UHFFFAOYSA-N
XLogP3.20
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile (CID 63884111) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile is CC1CC1CN(C)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile?
The InChIKey is PORYYTOESLUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-7-13(11)10-19(2)16-8-12(9-17)14-5-3-4-6-15(14)18-16/h3-6,8,11,13H,7,10H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63884111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).