N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C29H26N4O4 — CID 10505351

IUPACN-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CN4C(=O)c5ccccc5C4=O)c3C)c2n1
InChIInChI=1S/C29H26N4O4/c1-17-12-13-24(32(4)26(34)15-33-28(35)20-8-5-6-9-21(20)29(33)36)19(3)22(17)16-37-25-11-7-10-23-27(25)31-18(2)14-30-23/h5-14H,15-16H2,1-4H3
InChIKeyPIMLVZIVYDNSQW-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.39
Rot. Bonds6

About N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 10505351) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID10505351
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC NameN-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CN4C(=O)c5ccccc5C4=O)c3C)c2n1
InChIInChI=1S/C29H26N4O4/c1-17-12-13-24(32(4)26(34)15-33-28(35)20-8-5-6-9-21(20)29(33)36)19(3)22(17)16-37-25-11-7-10-23-27(25)31-18(2)14-30-23/h5-14H,15-16H2,1-4H3
InChIKeyPIMLVZIVYDNSQW-UHFFFAOYSA-N
XLogP4.39
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide 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-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 10505351) is N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is Cc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CN4C(=O)c5ccccc5C4=O)c3C)c2n1.
What is the InChIKey of N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is PIMLVZIVYDNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-17-12-13-24(32(4)26(34)15-33-28(35)20-8-5-6-9-21(20)29(33)36)19(3)22(17)16-37-25-11-7-10-23-27(25)31-18(2)14-30-23/h5-14H,15-16H2,1-4H3.
What are the key properties of N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 494.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 10505351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).