4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline

C13H11ClN2S — CID 71551696

IUPAC4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C13H11ClN2S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3
InChIKeyZVLOMFDDXOIDRU-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.45
Rot. Bonds2

About 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline

4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 71551696) has the molecular formula C13H11ClN2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
PubChem CID71551696
Molecular FormulaC13H11ClN2S
Molecular Weight262.76 g/mol
Exact Mass262.03
IUPAC Name4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C13H11ClN2S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3
InChIKeyZVLOMFDDXOIDRU-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline (CID 71551696) is 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline is CCCc1nc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is ZVLOMFDDXOIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 262.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 71551696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).