3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide

C17H15N3O2 — CID 4682206

IUPAC3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C17H15N3O2/c1-11-7-8-13(9-12(11)2)16(21)19-20-10-18-15-6-4-3-5-14(15)17(20)22/h3-10H,1-2H3,(H,19,21)
InChIKeyJIXQVUHZRBEPMA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.40
Rot. Bonds2

About 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide

3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 4682206) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID4682206
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1C
InChIInChI=1S/C17H15N3O2/c1-11-7-8-13(9-12(11)2)16(21)19-20-10-18-15-6-4-3-5-14(15)17(20)22/h3-10H,1-2H3,(H,19,21)
InChIKeyJIXQVUHZRBEPMA-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide (CID 4682206) is 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide is Cc1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is JIXQVUHZRBEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-8-13(9-12(11)2)16(21)19-20-10-18-15-6-4-3-5-14(15)17(20)22/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide?
3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 4682206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).