(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide

C26H23FN2O2 — CID 175085852

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@H](Cc1ccccc1OC)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C26H23FN2O2/c1-28-26(30)22(15-19-5-3-4-6-25(19)31-2)18-9-7-17(8-10-18)21-13-14-29-24-12-11-20(27)16-23(21)24/h3-14,16,22H,15H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeySCIMHSOXERSRBR-JOCHJYFZSA-N
MW414.48 g/mol
LogP5.12
Rot. Bonds6

About (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide

(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 175085852) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID175085852
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@H](Cc1ccccc1OC)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C26H23FN2O2/c1-28-26(30)22(15-19-5-3-4-6-25(19)31-2)18-9-7-17(8-10-18)21-13-14-29-24-12-11-20(27)16-23(21)24/h3-14,16,22H,15H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeySCIMHSOXERSRBR-JOCHJYFZSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide (CID 175085852) is (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide is CNC(=O)[C@H](Cc1ccccc1OC)c1ccc(-c2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is SCIMHSOXERSRBR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-28-26(30)22(15-19-5-3-4-6-25(19)31-2)18-9-7-17(8-10-18)21-13-14-29-24-12-11-20(27)16-23(21)24/h3-14,16,22H,15H2,1-2H3,(H,28,30)/t22-/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 414.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 175085852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).