tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide

C46H55N7O9 — CID 158294614

About tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide

tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide (PubChem CID 158294614) has the molecular formula C46H55N7O9 and a molecular weight of 849.99 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide
• PubChem CID: 158294614
• Molecular Formula: C46H55N7O9
• Molecular Weight: 849.99 g/mol
• Exact Mass: 849.41
• IUPAC Name: tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide
• SMILES: CNC(=O)c1cc(=O)n(CC=O)c2cc(C)ccc12.CNC(=O)c1cc(=O)n(CCN2CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)OC(C)(C)C)CC2)c2cc(C)ccc12
• InChI: InChI=1S/C32H41N5O6.C14H14N2O3/c1-21-6-7-24-25(30(39)33-5)18-29(38)36(26(24)16-21)13-12-35-10-8-23(9-11-35)37(31(40)43-32(2,3)4)20-22-17-27-28(19-34-22)42-15-14-41-27;1-9-3-4-10-11(14(19)15-2)8-13(18)16(5-6-17)12(10)7-9/h6-7,16-19,23H,8-15,20H2,1-5H3,(H,33,39);3-4,6-8H,5H2,1-2H3,(H,15,19)
• InChIKey: GLTHYYUFFLQVFT-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 183.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.99
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide?

The IUPAC name of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide (CID 158294614) is tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide.

What is the SMILES notation for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide?

The canonical SMILES for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CC=O)c2cc(C)ccc12.CNC(=O)c1cc(=O)n(CCN2CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)OC(C)(C)C)CC2)c2cc(C)ccc12.

What is the InChIKey of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide?

The InChIKey is GLTHYYUFFLQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O6.C14H14N2O3/c1-21-6-7-24-25(30(39)33-5)18-29(38)36(26(24)16-21)13-12-35-10-8-23(9-11-35)37(31(40)43-32(2,3)4)20-22-17-27-28(19-34-22)42-15-14-41-27;1-9-3-4-10-11(14(19)15-2)8-13(18)16(5-6-17)12(10)7-9/h6-7,16-19,23H,8-15,20H2,1-5H3,(H,33,39);3-4,6-8H,5H2,1-2H3,(H,15,19).

What are the key properties of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide?

tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide has a molecular weight of 849.99 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-[7-methyl-4-(methylcarbamoyl)-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;N,7-dimethyl-2-oxo-1-(2-oxoethyl)quinoline-4-carboxamide is sourced from PubChem (CID 158294614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).