3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine

C17H22N2OS — CID 63485538

IUPAC3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSC1CCCC1
InChIInChI=1S/C17H22N2OS/c1-18-17-13(11-21-15-5-3-4-6-15)9-12-7-8-14(20-2)10-16(12)19-17/h7-10,15H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyINBGLURUNGLVIH-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.46
Rot. Bonds5

About 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine

3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine (PubChem CID 63485538) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
PubChem CID63485538
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSC1CCCC1
InChIInChI=1S/C17H22N2OS/c1-18-17-13(11-21-15-5-3-4-6-15)9-12-7-8-14(20-2)10-16(12)19-17/h7-10,15H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyINBGLURUNGLVIH-UHFFFAOYSA-N
XLogP4.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
CID 62193406
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
CID 62188180
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62250641
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
CID 865254
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
CID 62251194

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine (CID 63485538) is 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine is CNc1nc2cc(OC)ccc2cc1CSC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine?
The InChIKey is INBGLURUNGLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-18-17-13(11-21-15-5-3-4-6-15)9-12-7-8-14(20-2)10-16(12)19-17/h7-10,15H,3-6,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine?
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine has a molecular weight of 302.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine is sourced from PubChem (CID 63485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).