2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile

C15H15N3S — CID 63885847

IUPAC2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCSC1
InChIInChI=1S/C15H15N3S/c1-18(12-6-7-19-10-12)15-8-11(9-16)13-4-2-3-5-14(13)17-15/h2-5,8,12H,6-7,10H2,1H3
InChIKeyAQANOTURFJCKMB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.05
Rot. Bonds2

About 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile

2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile (PubChem CID 63885847) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
PubChem CID63885847
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCSC1
InChIInChI=1S/C15H15N3S/c1-18(12-6-7-19-10-12)15-8-11(9-16)13-4-2-3-5-14(13)17-15/h2-5,8,12H,6-7,10H2,1H3
InChIKeyAQANOTURFJCKMB-UHFFFAOYSA-N
XLogP3.05
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile (CID 63885847) is 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile is CN(c1cc(C#N)c2ccccc2n1)C1CCSC1.
What is the InChIKey of 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile?
The InChIKey is AQANOTURFJCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-18(12-6-7-19-10-12)15-8-11(9-16)13-4-2-3-5-14(13)17-15/h2-5,8,12H,6-7,10H2,1H3.
What are the key properties of 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile?
2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).