N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine

C17H17N3S — CID 62189453

IUPACN-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1ccccn1
InChIInChI=1S/C17H17N3S/c1-2-18-17-14(12-21-16-9-5-6-10-19-16)11-13-7-3-4-8-15(13)20-17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyPFZVJABOULITQL-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.35
Rot. Bonds5

About N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine

N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 62189453) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID62189453
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1ccccn1
InChIInChI=1S/C17H17N3S/c1-2-18-17-14(12-21-16-9-5-6-10-19-16)11-13-7-3-4-8-15(13)20-17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyPFZVJABOULITQL-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188972
N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925507
N-ethyl-3-propylquinolin-2-amine
CID 63232591
N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62190013
2-(pyridin-2-ylsulfanylmethyl)quinazoline
CID 156587667
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
CID 62182539
3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
CID 62351315
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
7-methoxy-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188750
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
CID 62195600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine (CID 62189453) is N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1CSc1ccccn1.
What is the InChIKey of N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is PFZVJABOULITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-18-17-14(12-21-16-9-5-6-10-19-16)11-13-7-3-4-8-15(13)20-17/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine?
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62189453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).