5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine

C15H12ClN3S — CID 43302005

IUPAC5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2cc3ccccc3nc2Cl)cn1
InChIInChI=1S/C15H12ClN3S/c16-15-11(7-10-3-1-2-4-13(10)19-15)9-20-12-5-6-14(17)18-8-12/h1-8H,9H2,(H2,17,18)
InChIKeyHOYUKJYAIAULGT-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.16
Rot. Bonds3

About 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine

5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 43302005) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
PubChem CID43302005
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2cc3ccccc3nc2Cl)cn1
InChIInChI=1S/C15H12ClN3S/c16-15-11(7-10-3-1-2-4-13(10)19-15)9-20-12-5-6-14(17)18-8-12/h1-8H,9H2,(H2,17,18)
InChIKeyHOYUKJYAIAULGT-UHFFFAOYSA-N
XLogP4.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.16
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 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine (CID 43302005) is 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2cc3ccccc3nc2Cl)cn1.
What is the InChIKey of 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is HOYUKJYAIAULGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c16-15-11(7-10-3-1-2-4-13(10)19-15)9-20-12-5-6-14(17)18-8-12/h1-8H,9H2,(H2,17,18).
What are the key properties of 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine?
5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43302005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).