2-quinolin-7-yl-1H-pyridine-4-thione

C14H10N2S — CID 106519741

IUPAC2-quinolin-7-yl-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C14H10N2S/c17-12-5-7-16-14(9-12)11-4-3-10-2-1-6-15-13(10)8-11/h1-9H,(H,16,17)
InChIKeyXJKVEBLEOUGJAW-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.96
Rot. Bonds1

About 2-quinolin-7-yl-1H-pyridine-4-thione

2-quinolin-7-yl-1H-pyridine-4-thione (PubChem CID 106519741) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-quinolin-7-yl-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-quinolin-7-yl-1H-pyridine-4-thione
PubChem CID106519741
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name2-quinolin-7-yl-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C14H10N2S/c17-12-5-7-16-14(9-12)11-4-3-10-2-1-6-15-13(10)8-11/h1-9H,(H,16,17)
InChIKeyXJKVEBLEOUGJAW-UHFFFAOYSA-N
XLogP3.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-(4-chloro-2-pyridinyl)quinoline
CID 102825160
7-(6-bromo-2-pyridinyl)quinoline
CID 81221969
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519751
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
3-quinolin-7-ylbenzoic acid
CID 81224892
7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
CID 121287261
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
2-methyl-4-quinolin-7-ylaniline
CID 81223886
2-chloro-5-quinolin-7-ylaniline
CID 81224358
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
4-quinolin-7-ylbenzoic acid
CID 81224662
2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769639

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-yl-1H-pyridine-4-thione?
The IUPAC name of 2-quinolin-7-yl-1H-pyridine-4-thione (CID 106519741) is 2-quinolin-7-yl-1H-pyridine-4-thione.
What is the SMILES notation for 2-quinolin-7-yl-1H-pyridine-4-thione?
The canonical SMILES for 2-quinolin-7-yl-1H-pyridine-4-thione is S=c1cc[nH]c(-c2ccc3cccnc3c2)c1.
What is the InChIKey of 2-quinolin-7-yl-1H-pyridine-4-thione?
The InChIKey is XJKVEBLEOUGJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c17-12-5-7-16-14(9-12)11-4-3-10-2-1-6-15-13(10)8-11/h1-9H,(H,16,17).
What are the key properties of 2-quinolin-7-yl-1H-pyridine-4-thione?
2-quinolin-7-yl-1H-pyridine-4-thione has a molecular weight of 238.32 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-7-yl-1H-pyridine-4-thione is sourced from PubChem (CID 106519741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).