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

C18H22N4O5 — CID 118895703

IUPACN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12
InChIInChI=1S/C18H22N4O5/c1-3-27-9-15(24)20-12-6-4-5-11-16(12)18(26)22(10(2)19-11)13-7-8-14(23)21-17(13)25/h4-6,11,13,16H,3,7-9H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyXUWJSIZAILNHGL-UHFFFAOYSA-N
MW374.40 g/mol
LogP-0.36
Rot. Bonds5

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

N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide (PubChem CID 118895703) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide
PubChem CID118895703
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12
InChIInChI=1S/C18H22N4O5/c1-3-27-9-15(24)20-12-6-4-5-11-16(12)18(26)22(10(2)19-11)13-7-8-14(23)21-17(13)25/h4-6,11,13,16H,3,7-9H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyXUWJSIZAILNHGL-UHFFFAOYSA-N
XLogP-0.36
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-2-ethoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]methyl]-2-phenylacetamide
CID 126583753
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[4-(4-iodobutoxy)butoxy]acetamide
CID 139465973
3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]propanoic acid
CID 166994465
(3S)-3-(2,5,8a-trimethyl-4-oxo-4aH-quinazolin-3-yl)piperidine-2,6-dione
CID 129170692
2-[4-(4-chlorobutoxy)butoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139465974
2-(2-chloroethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139466001
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
tert-butyl N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659290
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948

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]-2-ethoxyacetamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide (CID 118895703) is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide is CCOCC(=O)NC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide?
The InChIKey is XUWJSIZAILNHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-3-27-9-15(24)20-12-6-4-5-11-16(12)18(26)22(10(2)19-11)13-7-8-14(23)21-17(13)25/h4-6,11,13,16H,3,7-9H2,1-2H3,(H,20,24)(H,21,23,25).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide?
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide has a molecular weight of 374.40 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-ethoxyacetamide is sourced from PubChem (CID 118895703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).