N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide

C21H22N4O3 — CID 27892984

IUPACN,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-3-24(4-2)20(27)15-8-7-9-16(12-15)23-19(26)13-25-14-22-18-11-6-5-10-17(18)21(25)28/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyYTVNUMKEYZCYFI-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.52
Rot. Bonds6

About N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide (PubChem CID 27892984) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
PubChem CID27892984
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-3-24(4-2)20(27)15-8-7-9-16(12-15)23-19(26)13-25-14-22-18-11-6-5-10-17(18)21(25)28/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyYTVNUMKEYZCYFI-UHFFFAOYSA-N
XLogP2.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N,N-diethyl-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 39431762
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838983
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide (CID 27892984) is N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The InChIKey is YTVNUMKEYZCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-24(4-2)20(27)15-8-7-9-16(12-15)23-19(26)13-25-14-22-18-11-6-5-10-17(18)21(25)28/h5-12,14H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 27892984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).