4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide

C21H25FN6O2 — CID 138590429

IUPAC4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)C4(F)CCN(CC(C)C)CC4)nc3c2)o1
InChIInChI=1S/C21H25FN6O2/c1-13(2)12-28-8-6-21(22,7-9-28)19(29)25-20-23-11-16-5-4-15(10-17(16)24-20)18-27-26-14(3)30-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,23,24,25,29)
InChIKeyPZBYDAMKDYBCSB-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.39
Rot. Bonds5

About 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide

4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 138590429) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID138590429
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)C4(F)CCN(CC(C)C)CC4)nc3c2)o1
InChIInChI=1S/C21H25FN6O2/c1-13(2)12-28-8-6-21(22,7-9-28)19(29)25-20-23-11-16-5-4-15(10-17(16)24-20)18-27-26-14(3)30-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,23,24,25,29)
InChIKeyPZBYDAMKDYBCSB-UHFFFAOYSA-N
XLogP3.39
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide (CID 138590429) is 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide is Cc1nnc(-c2ccc3cnc(NC(=O)C4(F)CCN(CC(C)C)CC4)nc3c2)o1.
What is the InChIKey of 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is PZBYDAMKDYBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-13(2)12-28-8-6-21(22,7-9-28)19(29)25-20-23-11-16-5-4-15(10-17(16)24-20)18-27-26-14(3)30-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,23,24,25,29).
What are the key properties of 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide?
4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138590429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).