2-methyl-N-(4-oxoquinazolin-3-yl)benzamide

C16H13N3O2 — CID 3632726

IUPAC2-methyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H13N3O2/c1-11-6-2-3-7-12(11)15(20)18-19-10-17-14-9-5-4-8-13(14)16(19)21/h2-10H,1H3,(H,18,20)
InChIKeyHIJAWIFUJXNPOG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide

2-methyl-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 3632726) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID3632726
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H13N3O2/c1-11-6-2-3-7-12(11)15(20)18-19-10-17-14-9-5-4-8-13(14)16(19)21/h2-10H,1H3,(H,18,20)
InChIKeyHIJAWIFUJXNPOG-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
3-Methyl-4(3H)-quinazolinone
CID 17088
2-Hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
CID 376484
3-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-benzyl-3,4-dihydroquinazolin-4-one
CID 561230
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
2-((E)-2-o-Tolyl-vinyl)-3H-quinazolin-4-one
CID 135580294
3-Amino-4(3H)-quinazolinone
CID 63125
Centazolone
CID 72846
3-(2-oxo-2-phenylethyl)-4(3H)-quinazolinone
CID 738365
3-amino-2-methylquinazolin-4(3H)-one
CID 237591
3-ethyl-2-[2-(2-methylphenyl)vinyl]-4(3H)-quinazolinone
CID 6241452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide (CID 3632726) is 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide is Cc1ccccc1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is HIJAWIFUJXNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-2-3-7-12(11)15(20)18-19-10-17-14-9-5-4-8-13(14)16(19)21/h2-10H,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide?
2-methyl-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3632726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).