(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine

C19H16BrFN2O — CID 97077681

IUPAC(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
SMILESFc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1
InChIInChI=1S/C19H16BrFN2O/c20-15-4-1-14(2-5-15)18-12-23(9-10-24-18)19-17-11-16(21)6-3-13(17)7-8-22-19/h1-8,11,18H,9-10,12H2/t18-/m0/s1
InChIKeyYRMAHTUNPUKBTO-SFHVURJKSA-N
MW387.25 g/mol
LogP4.71
Rot. Bonds2

About (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine

(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine (PubChem CID 97077681) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
PubChem CID97077681
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC Name(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
SMILESFc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1
InChIInChI=1S/C19H16BrFN2O/c20-15-4-1-14(2-5-15)18-12-23(9-10-24-18)19-17-11-16(21)6-3-13(17)7-8-22-19/h1-8,11,18H,9-10,12H2/t18-/m0/s1
InChIKeyYRMAHTUNPUKBTO-SFHVURJKSA-N
XLogP4.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine 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-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine?
The IUPAC name of (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine (CID 97077681) is (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine is Fc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine?
The InChIKey is YRMAHTUNPUKBTO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-15-4-1-14(2-5-15)18-12-23(9-10-24-18)19-17-11-16(21)6-3-13(17)7-8-22-19/h1-8,11,18H,9-10,12H2/t18-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine?
(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine has a molecular weight of 387.25 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine is sourced from PubChem (CID 97077681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).