1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide

C20H19FN4O — CID 4523705

IUPAC1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C20H19FN4O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)20(24-19)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26)
InChIKeyDBVWQAIFVRDQHY-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide

1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide (PubChem CID 4523705) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
PubChem CID4523705
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C20H19FN4O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)20(24-19)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26)
InChIKeyDBVWQAIFVRDQHY-UHFFFAOYSA-N
XLogP3.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide (CID 4523705) is 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The InChIKey is DBVWQAIFVRDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-7-3-1-5-14(16)19-23-17-8-4-2-6-15(17)20(24-19)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26).
What are the key properties of 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide?
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4523705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).