4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide

C21H16N4O3 — CID 23797785

IUPAC4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N4O3/c1-28-16-8-6-15(7-9-16)20(26)24-25-19(14-10-12-22-13-11-14)23-18-5-3-2-4-17(18)21(25)27/h2-13H,1H3,(H,24,26)
InChIKeyLODUDEGFWTVJQP-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.85
Rot. Bonds4

About 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide

4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide (PubChem CID 23797785) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
PubChem CID23797785
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N4O3/c1-28-16-8-6-15(7-9-16)20(26)24-25-19(14-10-12-22-13-11-14)23-18-5-3-2-4-17(18)21(25)27/h2-13H,1H3,(H,24,26)
InChIKeyLODUDEGFWTVJQP-UHFFFAOYSA-N
XLogP2.85
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide (CID 23797785) is 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide is COc1ccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The InChIKey is LODUDEGFWTVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-28-16-8-6-15(7-9-16)20(26)24-25-19(14-10-12-22-13-11-14)23-18-5-3-2-4-17(18)21(25)27/h2-13H,1H3,(H,24,26).
What are the key properties of 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide has a molecular weight of 372.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide is sourced from PubChem (CID 23797785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).