[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

C20H17BrFN3O — CID 22031035

IUPAC[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C20H17BrFN3O/c21-15-3-6-18-17(11-15)20(24-12-23-18)25-9-7-14(8-10-25)19(26)13-1-4-16(22)5-2-13/h1-6,11-12,14H,7-10H2
InChIKeyZVZGQLSTPOFIDZ-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.63
Rot. Bonds3

About [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 22031035) has the molecular formula C20H17BrFN3O and a molecular weight of 414.28 g/mol. Its IUPAC name is [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID22031035
Molecular FormulaC20H17BrFN3O
Molecular Weight414.28 g/mol
Exact Mass413.05
IUPAC Name[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C20H17BrFN3O/c21-15-3-6-18-17(11-15)20(24-12-23-18)25-9-7-14(8-10-25)19(26)13-1-4-16(22)5-2-13/h1-6,11-12,14H,7-10H2
InChIKeyZVZGQLSTPOFIDZ-UHFFFAOYSA-N
XLogP4.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 22031035) is [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(c2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZVZGQLSTPOFIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O/c21-15-3-6-18-17(11-15)20(24-12-23-18)25-9-7-14(8-10-25)19(26)13-1-4-16(22)5-2-13/h1-6,11-12,14H,7-10H2.
What are the key properties of [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 414.28 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 22031035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).