2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine

C15H13N3S — CID 91231622

IUPAC2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine
SMILESCSc1cncc(-c2cc(N)c3ccccc3n2)c1
InChIInChI=1S/C15H13N3S/c1-19-11-6-10(8-17-9-11)15-7-13(16)12-4-2-3-5-14(12)18-15/h2-9H,1H3,(H2,16,18)
InChIKeyFCTBDASLHOUFFQ-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.60
Rot. Bonds2

About 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine

2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine (PubChem CID 91231622) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine
PubChem CID91231622
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine
SMILESCSc1cncc(-c2cc(N)c3ccccc3n2)c1
InChIInChI=1S/C15H13N3S/c1-19-11-6-10(8-17-9-11)15-7-13(16)12-4-2-3-5-14(12)18-15/h2-9H,1H3,(H2,16,18)
InChIKeyFCTBDASLHOUFFQ-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
2-phenyl-1,7-naphthyridin-4-amine
CID 11470076
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
2-methylquinolin-4-amine
CID 162035180
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
5-(4-aminoquinolin-2-yl)-2-propan-2-ylpyridin-3-ol;ethane;3-(5-hydroxy-6-propan-2-yl-3-pyridinyl)quinolin-5-ol
CID 168882848
2-(2-phenoxyphenyl)quinolin-4-amine
CID 175084364
acridin-9-amine;λ2-plumbane
CID 173496858
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
2-[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 67246804
8-ethyl-2-phenylquinolin-4-amine
CID 55045650

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine?
The IUPAC name of 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine (CID 91231622) is 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine?
The canonical SMILES for 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine is CSc1cncc(-c2cc(N)c3ccccc3n2)c1.
What is the InChIKey of 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine?
The InChIKey is FCTBDASLHOUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-19-11-6-10(8-17-9-11)15-7-13(16)12-4-2-3-5-14(12)18-15/h2-9H,1H3,(H2,16,18).
What are the key properties of 2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine?
2-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine has a molecular weight of 267.36 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-(5-methylsulfanyl-3-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 91231622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).