2-chloro-6-quinolin-3-yloxybenzenecarbothioamide

C16H11ClN2OS — CID 107387145

IUPAC2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H11ClN2OS/c17-12-5-3-7-14(15(12)16(18)21)20-11-8-10-4-1-2-6-13(10)19-9-11/h1-9H,(H2,18,21)
InChIKeyONLODGDHZLJZTG-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide

2-chloro-6-quinolin-3-yloxybenzenecarbothioamide (PubChem CID 107387145) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
PubChem CID107387145
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H11ClN2OS/c17-12-5-3-7-14(15(12)16(18)21)20-11-8-10-4-1-2-6-13(10)19-9-11/h1-9H,(H2,18,21)
InChIKeyONLODGDHZLJZTG-UHFFFAOYSA-N
XLogP4.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.31
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

2-chloro-6-quinolin-3-yloxybenzoic acid
CID 107387494
4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175
2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
CID 62497049
2-chloro-6-(3,5-dimethoxyphenoxy)benzenecarbothioamide
CID 62497559
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
2-(2-bromophenoxy)-6-chlorobenzenecarbothioamide
CID 55079385
4-(2-carbamothioyl-3-chlorophenoxy)benzamide
CID 62495878
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide?
The IUPAC name of 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide (CID 107387145) is 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide?
The canonical SMILES for 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide is NC(=S)c1c(Cl)cccc1Oc1cnc2ccccc2c1.
What is the InChIKey of 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide?
The InChIKey is ONLODGDHZLJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-5-3-7-14(15(12)16(18)21)20-11-8-10-4-1-2-6-13(10)19-9-11/h1-9H,(H2,18,21).
What are the key properties of 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide?
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide has a molecular weight of 314.80 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-quinolin-3-yloxybenzenecarbothioamide is sourced from PubChem (CID 107387145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).