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

C24H27N5O4 — CID 108916963

IUPACtert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCc1nc2ccc(C(=O)Nc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)cc2nc1C
InChIInChI=1S/C24H27N5O4/c1-14-15(2)27-20-12-16(6-11-19(20)26-14)22(31)29-18-9-7-17(8-10-18)28-21(30)13-25-23(32)33-24(3,4)5/h6-12H,13H2,1-5H3,(H,25,32)(H,28,30)(H,29,31)
InChIKeyPITCYJKLFCUWKB-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.96
Rot. Bonds5

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

tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate (PubChem CID 108916963) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
PubChem CID108916963
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Nametert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCc1nc2ccc(C(=O)Nc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)cc2nc1C
InChIInChI=1S/C24H27N5O4/c1-14-15(2)27-20-12-16(6-11-19(20)26-14)22(31)29-18-9-7-17(8-10-18)28-21(30)13-25-23(32)33-24(3,4)5/h6-12H,13H2,1-5H3,(H,25,32)(H,28,30)(H,29,31)
InChIKeyPITCYJKLFCUWKB-UHFFFAOYSA-N
XLogP3.96
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919874
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
tert-butyl N-[2-[2-[[(2,3-dimethylquinoxaline-6-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918041
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407085
tert-butyl N-[2-[3-(3H-benzimidazole-5-carbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917164
tert-butyl N-[2-[3-[(4-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917109
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108916894
tert-butyl N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917112
tert-butyl N-[2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532861
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110305572
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate (CID 108916963) is tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate is Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)cc2nc1C.
What is the InChIKey of tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The InChIKey is PITCYJKLFCUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14-15(2)27-20-12-16(6-11-19(20)26-14)22(31)29-18-9-7-17(8-10-18)28-21(30)13-25-23(32)33-24(3,4)5/h6-12H,13H2,1-5H3,(H,25,32)(H,28,30)(H,29,31).
What are the key properties of tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate has a molecular weight of 449.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).