N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide

C24H28N4O2 — CID 92896918

IUPACN-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)nc(N3CCC[C@H](C)C3)c3ccccc32)c1
InChIInChI=1S/C24H28N4O2/c1-16-7-6-10-27(14-16)23-20-8-4-5-9-21(20)28(24(30)26-23)15-22(29)25-19-12-17(2)11-18(3)13-19/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3,(H,25,29)/t16-/m0/s1
InChIKeyMFDXOKQLJVHTHP-INIZCTEOSA-N
MW404.51 g/mol
LogP3.89
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide (PubChem CID 92896918) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
PubChem CID92896918
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)nc(N3CCC[C@H](C)C3)c3ccccc32)c1
InChIInChI=1S/C24H28N4O2/c1-16-7-6-10-27(14-16)23-20-8-4-5-9-21(20)28(24(30)26-23)15-22(29)25-19-12-17(2)11-18(3)13-19/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3,(H,25,29)/t16-/m0/s1
InChIKeyMFDXOKQLJVHTHP-INIZCTEOSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 50834654
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
N-(3,5-dimethylphenyl)-2-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylacetamide
CID 50836439
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide (CID 92896918) is N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2c(=O)nc(N3CCC[C@H](C)C3)c3ccccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is MFDXOKQLJVHTHP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-7-6-10-27(14-16)23-20-8-4-5-9-21(20)28(24(30)26-23)15-22(29)25-19-12-17(2)11-18(3)13-19/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3,(H,25,29)/t16-/m0/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 92896918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).