[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone

C19H17F2N3O — CID 175719919

IUPAC[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)c(N2C=Nc3ccc(F)cc3C2)c1)N1CCCC1
InChIInChI=1S/C19H17F2N3O/c20-15-4-6-17-14(9-15)11-24(12-22-17)18-10-13(3-5-16(18)21)19(25)23-7-1-2-8-23/h3-6,9-10,12H,1-2,7-8,11H2
InChIKeyZIBVWDZOGDUROG-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.88
Rot. Bonds2

About [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 175719919) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID175719919
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)c(N2C=Nc3ccc(F)cc3C2)c1)N1CCCC1
InChIInChI=1S/C19H17F2N3O/c20-15-4-6-17-14(9-15)11-24(12-22-17)18-10-13(3-5-16(18)21)19(25)23-7-1-2-8-23/h3-6,9-10,12H,1-2,7-8,11H2
InChIKeyZIBVWDZOGDUROG-UHFFFAOYSA-N
XLogP3.88
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 175719919) is [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(F)c(N2C=Nc3ccc(F)cc3C2)c1)N1CCCC1.
What is the InChIKey of [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZIBVWDZOGDUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-15-4-6-17-14(9-15)11-24(12-22-17)18-10-13(3-5-16(18)21)19(25)23-7-1-2-8-23/h3-6,9-10,12H,1-2,7-8,11H2.
What are the key properties of [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 175719919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).