2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide

C25H28FN5O3 — CID 67102233

IUPAC2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
SMILESO=C(NC1CCOCC1)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C25H28FN5O3/c26-21-5-4-18(14-20(21)24(32)29-17-8-12-33-13-9-17)30-25-28-15-16-2-1-3-22(23(16)31-25)34-19-6-10-27-11-7-19/h1-5,14-15,17,19,27H,6-13H2,(H,29,32)(H,28,30,31)
InChIKeyDWBMIPPYWVSFER-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.55
Rot. Bonds6

About 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide

2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide (PubChem CID 67102233) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
PubChem CID67102233
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
SMILESO=C(NC1CCOCC1)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C25H28FN5O3/c26-21-5-4-18(14-20(21)24(32)29-17-8-12-33-13-9-17)30-25-28-15-16-2-1-3-22(23(16)31-25)34-19-6-10-27-11-7-19/h1-5,14-15,17,19,27H,6-13H2,(H,29,32)(H,28,30,31)
InChIKeyDWBMIPPYWVSFER-UHFFFAOYSA-N
XLogP3.55
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The IUPAC name of 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide (CID 67102233) is 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide is O=C(NC1CCOCC1)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The InChIKey is DWBMIPPYWVSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c26-21-5-4-18(14-20(21)24(32)29-17-8-12-33-13-9-17)30-25-28-15-16-2-1-3-22(23(16)31-25)34-19-6-10-27-11-7-19/h1-5,14-15,17,19,27H,6-13H2,(H,29,32)(H,28,30,31).
What are the key properties of 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide has a molecular weight of 465.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-yl)-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 67102233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).