3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol

C16H22N2O2S — CID 107771944

IUPAC3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
SMILESCNc1nc2cc(OC)ccc2cc1CSC(C)C(C)O
InChIInChI=1S/C16H22N2O2S/c1-10(19)11(2)21-9-13-7-12-5-6-14(20-4)8-15(12)18-16(13)17-3/h5-8,10-11,19H,9H2,1-4H3,(H,17,18)
InChIKeyPKNFYCOPKQPVRA-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.29
Rot. Bonds6

About 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol

3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol (PubChem CID 107771944) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
PubChem CID107771944
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
SMILESCNc1nc2cc(OC)ccc2cc1CSC(C)C(C)O
InChIInChI=1S/C16H22N2O2S/c1-10(19)11(2)21-9-13-7-12-5-6-14(20-4)8-15(12)18-16(13)17-3/h5-8,10-11,19H,9H2,1-4H3,(H,17,18)
InChIKeyPKNFYCOPKQPVRA-UHFFFAOYSA-N
XLogP3.29
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
CID 62188180
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
N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
CID 107756549
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-1-ol
CID 66105033
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
CID 62251194
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480

Frequently Asked Questions

What is the IUPAC name of 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol (CID 107771944) is 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol is CNc1nc2cc(OC)ccc2cc1CSC(C)C(C)O.
What is the InChIKey of 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol?
The InChIKey is PKNFYCOPKQPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(19)11(2)21-9-13-7-12-5-6-14(20-4)8-15(12)18-16(13)17-3/h5-8,10-11,19H,9H2,1-4H3,(H,17,18).
What are the key properties of 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol?
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol is sourced from PubChem (CID 107771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).