4-quinolin-3-yloxybenzenecarbothioamide

C16H12N2OS — CID 107387175

IUPAC4-quinolin-3-yloxybenzenecarbothioamide
SMILESNC(=S)c1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12N2OS/c17-16(20)11-5-7-13(8-6-11)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H2,17,20)
InChIKeyJYKMRZCHUPVSFG-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.66
Rot. Bonds3

About 4-quinolin-3-yloxybenzenecarbothioamide

4-quinolin-3-yloxybenzenecarbothioamide (PubChem CID 107387175) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-quinolin-3-yloxybenzenecarbothioamide.

Molecular Properties

Compound Name4-quinolin-3-yloxybenzenecarbothioamide
PubChem CID107387175
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name4-quinolin-3-yloxybenzenecarbothioamide
SMILESNC(=S)c1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12N2OS/c17-16(20)11-5-7-13(8-6-11)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H2,17,20)
InChIKeyJYKMRZCHUPVSFG-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
3-quinolin-3-yloxypropanamide
CID 107388241
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-yloxybenzenecarbothioamide?
The IUPAC name of 4-quinolin-3-yloxybenzenecarbothioamide (CID 107387175) is 4-quinolin-3-yloxybenzenecarbothioamide.
What is the SMILES notation for 4-quinolin-3-yloxybenzenecarbothioamide?
The canonical SMILES for 4-quinolin-3-yloxybenzenecarbothioamide is NC(=S)c1ccc(Oc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-quinolin-3-yloxybenzenecarbothioamide?
The InChIKey is JYKMRZCHUPVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16(20)11-5-7-13(8-6-11)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H2,17,20).
What are the key properties of 4-quinolin-3-yloxybenzenecarbothioamide?
4-quinolin-3-yloxybenzenecarbothioamide has a molecular weight of 280.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-yloxybenzenecarbothioamide is sourced from PubChem (CID 107387175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).