N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide

C23H24N4O4 — CID 126583753

IUPACN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide
SMILESCC1=NC2C=CC=C(CNC(=O)Cc3ccccc3)C2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H24N4O4/c1-14-25-17-9-5-8-16(13-24-20(29)12-15-6-3-2-4-7-15)21(17)23(31)27(14)18-10-11-19(28)26-22(18)30/h2-9,17-18,21H,10-13H2,1H3,(H,24,29)(H,26,28,30)
InChIKeyATGQUULWDZPNHH-UHFFFAOYSA-N
MW420.47 g/mol
LogP0.89
Rot. Bonds5

About N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide (PubChem CID 126583753) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide
PubChem CID126583753
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide
SMILESCC1=NC2C=CC=C(CNC(=O)Cc3ccccc3)C2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H24N4O4/c1-14-25-17-9-5-8-16(13-24-20(29)12-15-6-3-2-4-7-15)21(17)23(31)27(14)18-10-11-19(28)26-22(18)30/h2-9,17-18,21H,10-13H2,1H3,(H,24,29)(H,26,28,30)
InChIKeyATGQUULWDZPNHH-UHFFFAOYSA-N
XLogP0.89
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
CID 129170693
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide
CID 118895703
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
CID 58827269
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 58307176
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510
[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2-oxoethyl] acetate
CID 10134793
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91180408
(3S)-3-(2,5,8a-trimethyl-4-oxo-4aH-quinazolin-3-yl)piperidine-2,6-dione
CID 129170692
2-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91539022
3-(aminomethyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-hydroxybenzamide
CID 169049479

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide (CID 126583753) is N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide is CC1=NC2C=CC=C(CNC(=O)Cc3ccccc3)C2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide?
The InChIKey is ATGQUULWDZPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-25-17-9-5-8-16(13-24-20(29)12-15-6-3-2-4-7-15)21(17)23(31)27(14)18-10-11-19(28)26-22(18)30/h2-9,17-18,21H,10-13H2,1H3,(H,24,29)(H,26,28,30).
What are the key properties of N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide?
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide has a molecular weight of 420.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 126583753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).