3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide

C21H22N4O3 — CID 33026865

IUPAC3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O3/c1-14(2)11-19(26)23-15-7-9-16(10-8-15)24-20(27)12-25-13-22-18-6-4-3-5-17(18)21(25)28/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVBDKODOFVCNIDA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.02
Rot. Bonds6

About 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide

3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide (PubChem CID 33026865) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
PubChem CID33026865
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O3/c1-14(2)11-19(26)23-15-7-9-16(10-8-15)24-20(27)12-25-13-22-18-6-4-3-5-17(18)21(25)28/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVBDKODOFVCNIDA-UHFFFAOYSA-N
XLogP3.02
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide (CID 33026865) is 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
The InChIKey is VBDKODOFVCNIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(2)11-19(26)23-15-7-9-16(10-8-15)24-20(27)12-25-13-22-18-6-4-3-5-17(18)21(25)28/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide has a molecular weight of 378.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 33026865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).