N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C25H30FN3O2S — CID 26344593

IUPACN-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc2cc(CNCCCN3CCOCC3)c(OCCSc3ccccc3)nc2c1
InChIInChI=1S/C25H30FN3O2S/c26-22-8-7-20-17-21(19-27-9-4-10-29-11-13-30-14-12-29)25(28-24(20)18-22)31-15-16-32-23-5-2-1-3-6-23/h1-3,5-8,17-18,27H,4,9-16,19H2
InChIKeyJBKMZKDWMVOTQG-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.36
Rot. Bonds11

About N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 26344593) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID26344593
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC NameN-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc2cc(CNCCCN3CCOCC3)c(OCCSc3ccccc3)nc2c1
InChIInChI=1S/C25H30FN3O2S/c26-22-8-7-20-17-21(19-27-9-4-10-29-11-13-30-14-12-29)25(28-24(20)18-22)31-15-16-32-23-5-2-1-3-6-23/h1-3,5-8,17-18,27H,4,9-16,19H2
InChIKeyJBKMZKDWMVOTQG-UHFFFAOYSA-N
XLogP4.36
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 26344593) is N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine is Fc1ccc2cc(CNCCCN3CCOCC3)c(OCCSc3ccccc3)nc2c1.
What is the InChIKey of N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is JBKMZKDWMVOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c26-22-8-7-20-17-21(19-27-9-4-10-29-11-13-30-14-12-29)25(28-24(20)18-22)31-15-16-32-23-5-2-1-3-6-23/h1-3,5-8,17-18,27H,4,9-16,19H2.
What are the key properties of N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 455.60 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 26344593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).