2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide

C16H14N4O2 — CID 175986864

IUPAC2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
SMILESCn1cnc2ccc(Nc3ccccc3C(N)=O)cc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-9-18-13-7-6-10(8-12(13)16(20)22)19-14-5-3-2-4-11(14)15(17)21/h2-9,19H,1H3,(H2,17,21)
InChIKeyXUBNBBDQUYQGLX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.78
Rot. Bonds3

About 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide

2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide (PubChem CID 175986864) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
PubChem CID175986864
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
SMILESCn1cnc2ccc(Nc3ccccc3C(N)=O)cc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-9-18-13-7-6-10(8-12(13)16(20)22)19-14-5-3-2-4-11(14)15(17)21/h2-9,19H,1H3,(H2,17,21)
InChIKeyXUBNBBDQUYQGLX-UHFFFAOYSA-N
XLogP1.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174524883
4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 174524895
2-(naphthalen-2-ylamino)benzamide
CID 70089831
2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
CID 117077072
N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 46229583
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
2-(4-ethylanilino)benzamide
CID 177472959
2-(3-phenylanilino)benzamide
CID 44596232
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide
CID 155967432
2-(4-isocyanoanilino)benzamide
CID 58867966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide?
The IUPAC name of 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide (CID 175986864) is 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide.
What is the SMILES notation for 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide?
The canonical SMILES for 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide is Cn1cnc2ccc(Nc3ccccc3C(N)=O)cc2c1=O.
What is the InChIKey of 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide?
The InChIKey is XUBNBBDQUYQGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-9-18-13-7-6-10(8-12(13)16(20)22)19-14-5-3-2-4-11(14)15(17)21/h2-9,19H,1H3,(H2,17,21).
What are the key properties of 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide?
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide is sourced from PubChem (CID 175986864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).