3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol

C14H18N2OS — CID 66136862

IUPAC3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2OS/c1-10(6-7-17)18-9-12-8-11-4-2-3-5-13(11)16-14(12)15/h2-5,8,10,17H,6-7,9H2,1H3,(H2,15,16)
InChIKeyIUZYDNQNMRXESW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.82
Rot. Bonds5

About 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol

3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol (PubChem CID 66136862) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
PubChem CID66136862
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2OS/c1-10(6-7-17)18-9-12-8-11-4-2-3-5-13(11)16-14(12)15/h2-5,8,10,17H,6-7,9H2,1H3,(H2,15,16)
InChIKeyIUZYDNQNMRXESW-UHFFFAOYSA-N
XLogP2.82
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
CID 62182083
3-quinazolin-2-ylsulfanylbutan-1-ol
CID 114789384
3-[(2-chlorophenyl)methylsulfanylmethyl]quinolin-2-amine
CID 103289804
3-octylquinolin-2-amine
CID 23131231
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
3-(4-hydroxybutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66135922
3-[(3-bromophenyl)sulfanylmethyl]quinolin-2-amine
CID 62804814
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
CID 62208799
2-amino-4-(4-hydroxybutan-2-ylsulfanylmethyl)phenol
CID 66136739
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol (CID 66136862) is 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol is CC(CCO)SCc1cc2ccccc2nc1N.
What is the InChIKey of 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol?
The InChIKey is IUZYDNQNMRXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(6-7-17)18-9-12-8-11-4-2-3-5-13(11)16-14(12)15/h2-5,8,10,17H,6-7,9H2,1H3,(H2,15,16).
What are the key properties of 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol?
3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 66136862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).