3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide

C20H18F2N4O — CID 53137434

IUPAC3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCCC3)ncnc2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F2N4O/c21-14-8-13(9-15(22)10-14)20(27)25-16-4-5-17-18(11-16)23-12-24-19(17)26-6-2-1-3-7-26/h4-5,8-12H,1-3,6-7H2,(H,25,27)
InChIKeyQCUIDHJFGIYZJW-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.15
Rot. Bonds3

About 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide

3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide (PubChem CID 53137434) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
PubChem CID53137434
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(N3CCCCC3)ncnc2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F2N4O/c21-14-8-13(9-15(22)10-14)20(27)25-16-4-5-17-18(11-16)23-12-24-19(17)26-6-2-1-3-7-26/h4-5,8-12H,1-3,6-7H2,(H,25,27)
InChIKeyQCUIDHJFGIYZJW-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide (CID 53137434) is 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide is O=C(Nc1ccc2c(N3CCCCC3)ncnc2c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The InChIKey is QCUIDHJFGIYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-14-8-13(9-15(22)10-14)20(27)25-16-4-5-17-18(11-16)23-12-24-19(17)26-6-2-1-3-7-26/h4-5,8-12H,1-3,6-7H2,(H,25,27).
What are the key properties of 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide has a molecular weight of 368.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide is sourced from PubChem (CID 53137434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).