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

C22H24FN5O2 — CID 67102480

IUPAC2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
SMILESCN(C)C(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C22H24FN5O2/c1-28(2)21(29)17-12-15(6-7-18(17)23)26-22-25-13-14-4-3-5-19(20(14)27-22)30-16-8-10-24-11-9-16/h3-7,12-13,16,24H,8-11H2,1-2H3,(H,25,26,27)
InChIKeyNXYPLPWQEIPPHG-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.35
Rot. Bonds5

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

2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide (PubChem CID 67102480) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
PubChem CID67102480
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide
SMILESCN(C)C(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C22H24FN5O2/c1-28(2)21(29)17-12-15(6-7-18(17)23)26-22-25-13-14-4-3-5-19(20(14)27-22)30-16-8-10-24-11-9-16/h3-7,12-13,16,24H,8-11H2,1-2H3,(H,25,26,27)
InChIKeyNXYPLPWQEIPPHG-UHFFFAOYSA-N
XLogP3.35
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide (CID 67102480) is 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide is CN(C)C(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
The InChIKey is NXYPLPWQEIPPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-28(2)21(29)17-12-15(6-7-18(17)23)26-22-25-13-14-4-3-5-19(20(14)27-22)30-16-8-10-24-11-9-16/h3-7,12-13,16,24H,8-11H2,1-2H3,(H,25,26,27).
What are the key properties of 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide?
2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 67102480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).