N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine

C18H23FN2OS — CID 71851070

IUPACN-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine
SMILESCCSC1(CNCc2cc(F)cc3cccnc23)CCOCC1
InChIInChI=1S/C18H23FN2OS/c1-2-23-18(5-8-22-9-6-18)13-20-12-15-11-16(19)10-14-4-3-7-21-17(14)15/h3-4,7,10-11,20H,2,5-6,8-9,12-13H2,1H3
InChIKeyVQVOUORYCYARRJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine

N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine (PubChem CID 71851070) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine
PubChem CID71851070
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC NameN-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine
SMILESCCSC1(CNCc2cc(F)cc3cccnc23)CCOCC1
InChIInChI=1S/C18H23FN2OS/c1-2-23-18(5-8-22-9-6-18)13-20-12-15-11-16(19)10-14-4-3-7-21-17(14)15/h3-4,7,10-11,20H,2,5-6,8-9,12-13H2,1H3
InChIKeyVQVOUORYCYARRJ-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine?
The IUPAC name of N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine (CID 71851070) is N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine?
The canonical SMILES for N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine is CCSC1(CNCc2cc(F)cc3cccnc23)CCOCC1.
What is the InChIKey of N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine?
The InChIKey is VQVOUORYCYARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-2-23-18(5-8-22-9-6-18)13-20-12-15-11-16(19)10-14-4-3-7-21-17(14)15/h3-4,7,10-11,20H,2,5-6,8-9,12-13H2,1H3.
What are the key properties of N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine?
N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine has a molecular weight of 334.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine is sourced from PubChem (CID 71851070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).