4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine

C18H23FN4O2 — CID 127922091

IUPAC4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCOc1cc2c(N3CC(C)C(N4CCOCC4)C3)ncnc2cc1F
InChIInChI=1S/C18H23FN4O2/c1-12-9-23(10-16(12)22-3-5-25-6-4-22)18-13-7-17(24-2)14(19)8-15(13)20-11-21-18/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyKBCKFHYBNWLXFS-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds3

About 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine

4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine (PubChem CID 127922091) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
PubChem CID127922091
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCOc1cc2c(N3CC(C)C(N4CCOCC4)C3)ncnc2cc1F
InChIInChI=1S/C18H23FN4O2/c1-12-9-23(10-16(12)22-3-5-25-6-4-22)18-13-7-17(24-2)14(19)8-15(13)20-11-21-18/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyKBCKFHYBNWLXFS-UHFFFAOYSA-N
XLogP1.93
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-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 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine (CID 127922091) is 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine is COc1cc2c(N3CC(C)C(N4CCOCC4)C3)ncnc2cc1F.
What is the InChIKey of 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine?
The InChIKey is KBCKFHYBNWLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-9-23(10-16(12)22-3-5-25-6-4-22)18-13-7-17(24-2)14(19)8-15(13)20-11-21-18/h7-8,11-12,16H,3-6,9-10H2,1-2H3.
What are the key properties of 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine?
4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 127922091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).