2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C13H8ClN3OS — CID 950075

IUPAC2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C13H8ClN3OS/c14-11-7-9(8-3-1-2-4-10(8)16-11)12(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18)
InChIKeyRCXIWSITBRTTDY-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 950075) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID950075
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC Name2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C13H8ClN3OS/c14-11-7-9(8-3-1-2-4-10(8)16-11)12(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18)
InChIKeyRCXIWSITBRTTDY-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 950075) is 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is RCXIWSITBRTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-11-7-9(8-3-1-2-4-10(8)16-11)12(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18).
What are the key properties of 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 289.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 950075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).