3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine

C17H15ClN2S — CID 103289804

IUPAC3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CSCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2S/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20)
InChIKeyLIKWKVOOWZSYQL-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.90
Rot. Bonds4

About 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine

3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine (PubChem CID 103289804) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
PubChem CID103289804
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
SMILESNc1nc2ccccc2cc1CSCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2S/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20)
InChIKeyLIKWKVOOWZSYQL-UHFFFAOYSA-N
XLogP4.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine
CID 62804814
2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine
CID 103288249
(2-chloroquinolin-3-yl)methanamine
CID 71748539
3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
CID 66136862
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
CID 60652149
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
CID 71595544
3-octylquinolin-2-amine
CID 23131231
2-[(2-chlorophenyl)methylsulfanylmethyl]-1,3-benzoxazol-4-amine
CID 103288347
3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
CID 103288323
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine (CID 103289804) is 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine is Nc1nc2ccccc2cc1CSCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine?
The InChIKey is LIKWKVOOWZSYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-15-7-3-1-6-13(15)10-21-11-14-9-12-5-2-4-8-16(12)20-17(14)19/h1-9H,10-11H2,(H2,19,20).
What are the key properties of 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine?
3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine has a molecular weight of 314.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine is sourced from PubChem (CID 103289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).