7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one

C12H12FN3O — CID 117264333

IUPAC7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C1CCCN1
InChIInChI=1S/C12H12FN3O/c13-8-3-4-9-10(6-8)15-7-16(12(9)17)11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5H2
InChIKeyHQPKWLOXFGDWTQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.42
Rot. Bonds1

About 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one

7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one (PubChem CID 117264333) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one
PubChem CID117264333
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C1CCCN1
InChIInChI=1S/C12H12FN3O/c13-8-3-4-9-10(6-8)15-7-16(12(9)17)11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5H2
InChIKeyHQPKWLOXFGDWTQ-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one?
The IUPAC name of 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one (CID 117264333) is 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one?
The canonical SMILES for 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one is O=c1c2ccc(F)cc2ncn1C1CCCN1.
What is the InChIKey of 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one?
The InChIKey is HQPKWLOXFGDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-3-4-9-10(6-8)15-7-16(12(9)17)11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5H2.
What are the key properties of 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one?
7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one has a molecular weight of 233.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one is sourced from PubChem (CID 117264333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).