2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one

C19H18FN3O2 — CID 168551316

IUPAC2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H18FN3O2/c20-14-5-6-15(13(11-14)12-23-7-9-25-10-8-23)18-21-17-4-2-1-3-16(17)19(24)22-18/h1-6,11H,7-10,12H2,(H,21,22,24)
InChIKeyVMTCILYRCFLGKV-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one

2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168551316) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168551316
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H18FN3O2/c20-14-5-6-15(13(11-14)12-23-7-9-25-10-8-23)18-21-17-4-2-1-3-16(17)19(24)22-18/h1-6,11H,7-10,12H2,(H,21,22,24)
InChIKeyVMTCILYRCFLGKV-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one (CID 168551316) is 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(F)cc2CN2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is VMTCILYRCFLGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-5-6-15(13(11-14)12-23-7-9-25-10-8-23)18-21-17-4-2-1-3-16(17)19(24)22-18/h1-6,11H,7-10,12H2,(H,21,22,24).
What are the key properties of 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one?
2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 339.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).