4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide

C21H16N4O2 — CID 10832101

IUPAC4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)
InChIKeyTTYULORVZLXLQA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.95
Rot. Bonds4

About 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide

4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide (PubChem CID 10832101) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
PubChem CID10832101
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)
InChIKeyTTYULORVZLXLQA-UHFFFAOYSA-N
XLogP3.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide (CID 10832101) is 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The InChIKey is TTYULORVZLXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26).
What are the key properties of 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide is sourced from PubChem (CID 10832101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).