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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
CID 79113317
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 62279217
2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine
CID 80784259
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
CID 63884111
2-(N,2-dimethylanilino)quinoline-4-carbonitrile
CID 63884306
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
CID 63885853
2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
CID 63885462
3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile
CID 80509474
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
CID 63885657
1-(4-cyanoquinolin-2-yl)-3-(cyclopropylmethyl)-1-methylurea
CID 155950697

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).