2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide

C21H16FN5O2 — CID 71179813

IUPAC2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide
SMILESCOc1ccc2nc(-c3cncc(F)c3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C21H16FN5O2/c1-29-14-6-7-18-16(9-14)21(26-17-5-3-2-4-15(17)19(23)28)27-20(25-18)12-8-13(22)11-24-10-12/h2-11H,1H3,(H2,23,28)(H,25,26,27)
InChIKeyZFNZDJRRMQMCEB-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.68
Rot. Bonds5

About 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide

2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide (PubChem CID 71179813) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide
PubChem CID71179813
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide
SMILESCOc1ccc2nc(-c3cncc(F)c3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C21H16FN5O2/c1-29-14-6-7-18-16(9-14)21(26-17-5-3-2-4-15(17)19(23)28)27-20(25-18)12-8-13(22)11-24-10-12/h2-11H,1H3,(H2,23,28)(H,25,26,27)
InChIKeyZFNZDJRRMQMCEB-UHFFFAOYSA-N
XLogP3.68
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide (CID 71179813) is 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide is COc1ccc2nc(-c3cncc(F)c3)nc(Nc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide?
The InChIKey is ZFNZDJRRMQMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-29-14-6-7-18-16(9-14)21(26-17-5-3-2-4-15(17)19(23)28)27-20(25-18)12-8-13(22)11-24-10-12/h2-11H,1H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide?
2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-3-pyridinyl)-6-methoxyquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71179813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).