4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide

C16H13N3O3 — CID 135444505

IUPAC4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)14(20)18-16-17-13-5-3-2-4-12(13)15(21)19-16/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyNUTZJXBATZNCQR-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.18
Rot. Bonds3

About 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide

4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 135444505) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID135444505
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)14(20)18-16-17-13-5-3-2-4-12(13)15(21)19-16/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyNUTZJXBATZNCQR-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide (CID 135444505) is 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is NUTZJXBATZNCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)14(20)18-16-17-13-5-3-2-4-12(13)15(21)19-16/h2-9H,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 295.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135444505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).