N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide

C31H29N3O2 — CID 93097730

IUPACN-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccccc2)C2CC2)cc1
InChIInChI=1S/C31H29N3O2/c1-2-22-14-16-24(17-15-22)31(36)33(25-18-19-25)21-29(35)34-27-12-7-6-11-26(27)32-20-8-13-28(32)30(34)23-9-4-3-5-10-23/h3-17,20,25,30H,2,18-19,21H2,1H3/t30-/m0/s1
InChIKeyFBPOPCPJOOBZMG-PMERELPUSA-N
MW475.59 g/mol
LogP5.78
Rot. Bonds6

About N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide

N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide (PubChem CID 93097730) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
PubChem CID93097730
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC NameN-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccccc2)C2CC2)cc1
InChIInChI=1S/C31H29N3O2/c1-2-22-14-16-24(17-15-22)31(36)33(25-18-19-25)21-29(35)34-27-12-7-6-11-26(27)32-20-8-13-28(32)30(34)23-9-4-3-5-10-23/h3-17,20,25,30H,2,18-19,21H2,1H3/t30-/m0/s1
InChIKeyFBPOPCPJOOBZMG-PMERELPUSA-N
XLogP5.78
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide 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-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide (CID 93097730) is N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide is CCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide?
The InChIKey is FBPOPCPJOOBZMG-PMERELPUSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-2-22-14-16-24(17-15-22)31(36)33(25-18-19-25)21-29(35)34-27-12-7-6-11-26(27)32-20-8-13-28(32)30(34)23-9-4-3-5-10-23/h3-17,20,25,30H,2,18-19,21H2,1H3/t30-/m0/s1.
What are the key properties of N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide?
N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide is sourced from PubChem (CID 93097730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).