tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate

C28H36N6O3S — CID 166661284

About tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate

tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate (PubChem CID 166661284) has the molecular formula C28H36N6O3S and a molecular weight of 536.70 g/mol. Its IUPAC name is tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
• PubChem CID: 166661284
• Molecular Formula: C28H36N6O3S
• Molecular Weight: 536.70 g/mol
• Exact Mass: 536.26
• IUPAC Name: tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
• SMILES: Cc1nc(N(C)C(=O)OC(C)(C)C)sc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)C(C)C(=O)N3C)c1
• InChI: InChI=1S/C28H36N6O3S/c1-16(2)34-18(4)25(35)32(8)21-11-10-20(15-22(21)34)31-23-14-19(12-13-29-23)24-17(3)30-26(38-24)33(9)27(36)37-28(5,6)7/h10-16,18H,1-9H3,(H,29,31)
• InChIKey: LJNPXAJZIGWOIO-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.70
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate (CID 166661284) is tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate is Cc1nc(N(C)C(=O)OC(C)(C)C)sc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)C(C)C(=O)N3C)c1.

What is the InChIKey of tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?

The InChIKey is LJNPXAJZIGWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3S/c1-16(2)34-18(4)25(35)32(8)21-11-10-20(15-22(21)34)31-23-14-19(12-13-29-23)24-17(3)30-26(38-24)33(9)27(36)37-28(5,6)7/h10-16,18H,1-9H3,(H,29,31).

What are the key properties of tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?

tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate has a molecular weight of 536.70 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate is sourced from PubChem (CID 166661284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).