(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine

C19H18FN3O — CID 95223275

IUPAC(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccccc2)O1
InChIInChI=1S/C19H18FN3O/c1-13-10-23(11-17(24-13)14-6-3-2-4-7-14)19-18-15(20)8-5-9-16(18)21-12-22-19/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m1/s1
InChIKeyNHDMPBDABLEMDM-CXAGYDPISA-N
MW323.37 g/mol
LogP3.74
Rot. Bonds2

About (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine

(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine (PubChem CID 95223275) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine
PubChem CID95223275
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine
SMILESC[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccccc2)O1
InChIInChI=1S/C19H18FN3O/c1-13-10-23(11-17(24-13)14-6-3-2-4-7-14)19-18-15(20)8-5-9-16(18)21-12-22-19/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m1/s1
InChIKeyNHDMPBDABLEMDM-CXAGYDPISA-N
XLogP3.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine 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,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine?
The IUPAC name of (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine (CID 95223275) is (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine is C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine?
The InChIKey is NHDMPBDABLEMDM-CXAGYDPISA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-10-23(11-17(24-13)14-6-3-2-4-7-14)19-18-15(20)8-5-9-16(18)21-12-22-19/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m1/s1.
What are the key properties of (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine?
(2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine has a molecular weight of 323.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-fluoroquinazolin-4-yl)-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 95223275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).