4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine

C21H20F2N2O — CID 75462682

IUPAC4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine
SMILESFc1ccc(C2(NCc3ccc(F)c4cccnc34)CCOCC2)cc1
InChIInChI=1S/C21H20F2N2O/c22-17-6-4-16(5-7-17)21(9-12-26-13-10-21)25-14-15-3-8-19(23)18-2-1-11-24-20(15)18/h1-8,11,25H,9-10,12-14H2
InChIKeyQEPUAPLQVPFHKC-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.31
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine

4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine (PubChem CID 75462682) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine
PubChem CID75462682
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine
SMILESFc1ccc(C2(NCc3ccc(F)c4cccnc34)CCOCC2)cc1
InChIInChI=1S/C21H20F2N2O/c22-17-6-4-16(5-7-17)21(9-12-26-13-10-21)25-14-15-3-8-19(23)18-2-1-11-24-20(15)18/h1-8,11,25H,9-10,12-14H2
InChIKeyQEPUAPLQVPFHKC-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine (CID 75462682) is 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine is Fc1ccc(C2(NCc3ccc(F)c4cccnc34)CCOCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine?
The InChIKey is QEPUAPLQVPFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c22-17-6-4-16(5-7-17)21(9-12-26-13-10-21)25-14-15-3-8-19(23)18-2-1-11-24-20(15)18/h1-8,11,25H,9-10,12-14H2.
What are the key properties of 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine?
4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine has a molecular weight of 354.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(5-fluoroquinolin-8-yl)methyl]oxan-4-amine is sourced from PubChem (CID 75462682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).