N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide

C21H17N3O3 — CID 6735760

IUPACN-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide
SMILESCCc1nc2ccccc2c2c1C(=O)N(NC(=O)Cc1ccccc1)C2=O
InChIInChI=1S/C21H17N3O3/c1-2-15-19-18(14-10-6-7-11-16(14)22-15)20(26)24(21(19)27)23-17(25)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,23,25)
InChIKeyBLDGJNKXDFFYSG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.67
Rot. Bonds4

About N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide

N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide (PubChem CID 6735760) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide
PubChem CID6735760
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide
SMILESCCc1nc2ccccc2c2c1C(=O)N(NC(=O)Cc1ccccc1)C2=O
InChIInChI=1S/C21H17N3O3/c1-2-15-19-18(14-10-6-7-11-16(14)22-15)20(26)24(21(19)27)23-17(25)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,23,25)
InChIKeyBLDGJNKXDFFYSG-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide (CID 6735760) is N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide is CCc1nc2ccccc2c2c1C(=O)N(NC(=O)Cc1ccccc1)C2=O.
What is the InChIKey of N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide?
The InChIKey is BLDGJNKXDFFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-15-19-18(14-10-6-7-11-16(14)22-15)20(26)24(21(19)27)23-17(25)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,23,25).
What are the key properties of N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide?
N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 6735760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).