2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile

C17H12N2OS — CID 63886061

IUPAC2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
SMILESCOc1ccccc1Sc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H12N2OS/c1-20-15-8-4-5-9-16(15)21-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3
InChIKeyLVKIWWDFUPINDC-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile

2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile (PubChem CID 63886061) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
PubChem CID63886061
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
SMILESCOc1ccccc1Sc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H12N2OS/c1-20-15-8-4-5-9-16(15)21-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3
InChIKeyLVKIWWDFUPINDC-UHFFFAOYSA-N
XLogP4.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile (CID 63886061) is 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile is COc1ccccc1Sc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile?
The InChIKey is LVKIWWDFUPINDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-20-15-8-4-5-9-16(15)21-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile?
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile is sourced from PubChem (CID 63886061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).