N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C28H27FN2O — CID 25191131

IUPACN-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3F)cc(OC)c21
InChIInChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
InChIKeyJZWUMLVHJPFGLQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.95
Rot. Bonds5

About N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25191131) has the molecular formula C28H27FN2O and a molecular weight of 426.54 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25191131
Molecular FormulaC28H27FN2O
Molecular Weight426.54 g/mol
Exact Mass426.21
IUPAC NameN-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3F)cc(OC)c21
InChIInChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
InChIKeyJZWUMLVHJPFGLQ-UHFFFAOYSA-N
XLogP6.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25191131) is N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCN(c1cccc2ccccc12)C1CCCc2nc(-c3ccccc3F)cc(OC)c21.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is JZWUMLVHJPFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 426.54 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25191131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).