N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

C23H26N4O2 — CID 50834634

IUPACN-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-10-11-18(14-17(16)2)24-21(28)15-27-20-9-5-4-8-19(20)22(25-23(27)29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,28)
InChIKeySWXSUFXOCCILGX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.64
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (PubChem CID 50834634) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
PubChem CID50834634
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-10-11-18(14-17(16)2)24-21(28)15-27-20-9-5-4-8-19(20)22(25-23(27)29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,28)
InChIKeySWXSUFXOCCILGX-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 50834483
2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50834473
ethyl 4-[[2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetyl]amino]benzoate
CID 92896926
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (CID 50834634) is N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The InChIKey is SWXSUFXOCCILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-10-11-18(14-17(16)2)24-21(28)15-27-20-9-5-4-8-19(20)22(25-23(27)29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is sourced from PubChem (CID 50834634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).