4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine

C15H13N3S — CID 43300080

IUPAC4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3S/c16-13-9-17-7-5-15(13)19-10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2
InChIKeyWLKWHPIIFBCCGK-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.50
Rot. Bonds3

About 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine

4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 43300080) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
PubChem CID43300080
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3S/c16-13-9-17-7-5-15(13)19-10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2
InChIKeyWLKWHPIIFBCCGK-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
3,5-difluoro-4-(quinolin-6-ylmethylsulfanyl)aniline
CID 61359856
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62894086
[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630181
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
(3-pyridin-4-yl-1-quinolin-6-ylpropyl)hydrazine
CID 105327345
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine (CID 43300080) is 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine is Nc1cnccc1SCc1ccc2ncccc2c1.
What is the InChIKey of 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is WLKWHPIIFBCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-13-9-17-7-5-15(13)19-10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2.
What are the key properties of 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine?
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 267.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43300080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).