2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile

C17H19N3 — CID 63885853

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
SMILESCC(C)N(CC1CC1)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-12(2)20(11-13-7-8-13)17-9-14(10-18)15-5-3-4-6-16(15)19-17/h3-6,9,12-13H,7-8,11H2,1-2H3
InChIKeyHUVRMIWGAYJUBE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.73
Rot. Bonds4

About 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile

2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile (PubChem CID 63885853) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
PubChem CID63885853
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
SMILESCC(C)N(CC1CC1)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-12(2)20(11-13-7-8-13)17-9-14(10-18)15-5-3-4-6-16(15)19-17/h3-6,9,12-13H,7-8,11H2,1-2H3
InChIKeyHUVRMIWGAYJUBE-UHFFFAOYSA-N
XLogP3.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile (CID 63885853) is 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile is CC(C)N(CC1CC1)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile?
The InChIKey is HUVRMIWGAYJUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)20(11-13-7-8-13)17-9-14(10-18)15-5-3-4-6-16(15)19-17/h3-6,9,12-13H,7-8,11H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile?
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).