tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate

C25H29N5O4 — CID 108919874

About tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate (PubChem CID 108919874) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
• PubChem CID: 108919874
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
• SMILES: Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)cc2nc1C
• InChI: InChI=1S/C25H29N5O4/c1-15-16(2)28-21-14-17(6-11-20(21)27-15)23(32)30-19-9-7-18(8-10-19)29-22(31)12-13-26-24(33)34-25(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,26,33)(H,29,31)(H,30,32)
• InChIKey: RDZPBDXWUKIMBN-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 122.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate?

The IUPAC name of tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate (CID 108919874) is tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate is Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)cc2nc1C.

What is the InChIKey of tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate?

The InChIKey is RDZPBDXWUKIMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15-16(2)28-21-14-17(6-11-20(21)27-15)23(32)30-19-9-7-18(8-10-19)29-22(31)12-13-26-24(33)34-25(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,26,33)(H,29,31)(H,30,32).

What are the key properties of tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate?

tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate has a molecular weight of 463.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate is sourced from PubChem (CID 108919874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).