tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C38H37N5O7 — CID 45275283

About tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 45275283) has the molecular formula C38H37N5O7 and a molecular weight of 675.74 g/mol. Its IUPAC name is tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 45275283
• Molecular Formula: C38H37N5O7
• Molecular Weight: 675.74 g/mol
• Exact Mass: 675.27
• IUPAC Name: tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5=CCN(C(=O)OC(C)(C)C)CC5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC
• InChI: InChI=1S/C38H37N5O7/c1-38(2,3)50-37(46)42-17-14-24(15-18-42)25-19-29(36(45)43(23-25)26-9-7-6-8-10-26)35(44)41-34-12-11-27(22-40-34)49-31-13-16-39-30-21-33(48-5)32(47-4)20-28(30)31/h6-14,16,19-23H,15,17-18H2,1-5H3,(H,40,41,44)
• InChIKey: MBEWZJPHVIBZJD-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 134.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.74
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 45275283) is tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5=CCN(C(=O)OC(C)(C)C)CC5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC.

What is the InChIKey of tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is MBEWZJPHVIBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N5O7/c1-38(2,3)50-37(46)42-17-14-24(15-18-42)25-19-29(36(45)43(23-25)26-9-7-6-8-10-26)35(44)41-34-12-11-27(22-40-34)49-31-13-16-39-30-21-33(48-5)32(47-4)20-28(30)31/h6-14,16,19-23H,15,17-18H2,1-5H3,(H,40,41,44).

What are the key properties of tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 675.74 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-6-oxo-1-phenyl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 45275283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).