2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine

C14H10ClN3S — CID 155587951

IUPAC2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine
SMILESNc1ccc2nc(Sc3cccnc3Cl)ccc2c1
InChIInChI=1S/C14H10ClN3S/c15-14-12(2-1-7-17-14)19-13-6-3-9-8-10(16)4-5-11(9)18-13/h1-8H,16H2
InChIKeyDTDXOCYYKNUKMB-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.02
Rot. Bonds2

About 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine

2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine (PubChem CID 155587951) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine
PubChem CID155587951
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine
SMILESNc1ccc2nc(Sc3cccnc3Cl)ccc2c1
InChIInChI=1S/C14H10ClN3S/c15-14-12(2-1-7-17-14)19-13-6-3-9-8-10(16)4-5-11(9)18-13/h1-8H,16H2
InChIKeyDTDXOCYYKNUKMB-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine (CID 155587951) is 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine is Nc1ccc2nc(Sc3cccnc3Cl)ccc2c1.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine?
The InChIKey is DTDXOCYYKNUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-14-12(2-1-7-17-14)19-13-6-3-9-8-10(16)4-5-11(9)18-13/h1-8H,16H2.
What are the key properties of 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine?
2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine has a molecular weight of 287.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)sulfanyl]quinolin-6-amine is sourced from PubChem (CID 155587951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).