tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

C58H62Cl2N12O10 — CID 159732849

About tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (PubChem CID 159732849) has the molecular formula C58H62Cl2N12O10 and a molecular weight of 1158.11 g/mol. Its IUPAC name is tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
• PubChem CID: 159732849
• Molecular Formula: C58H62Cl2N12O10
• Molecular Weight: 1158.11 g/mol
• Exact Mass: 1156.41
• IUPAC Name: tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
• SMILES: C=C(OCC)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12.CC(=O)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12
• InChI: InChI=1S/C30H33ClN6O5.C28H29ClN6O5/c1-8-40-18(4)22-11-19(10-20-13-21(31)14-32-26(20)22)12-25-36-37-28(41-25)27(38)33-15-23-16(2)9-24(34-17(23)3)35-29(39)42-30(5,6)7;1-14-7-22(33-27(38)40-28(4,5)6)32-15(2)21(14)13-31-25(37)26-35-34-23(39-26)10-17-8-18-11-19(29)12-30-24(18)20(9-17)16(3)36/h9-11,13-14H,4,8,12,15H2,1-3,5-7H3,(H,33,38)(H,34,35,39);7-9,11-12H,10,13H2,1-6H3,(H,31,37)(H,32,33,38)
• InChIKey: NBLMYSIUXOSYKZ-UHFFFAOYSA-N
• XLogP: 11.51
• TPSA: 290.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.11
LogP ≤ 5	11.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (CID 159732849) is tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is C=C(OCC)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12.CC(=O)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12.

What is the InChIKey of tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

The InChIKey is NBLMYSIUXOSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN6O5.C28H29ClN6O5/c1-8-40-18(4)22-11-19(10-20-13-21(31)14-32-26(20)22)12-25-36-37-28(41-25)27(38)33-15-23-16(2)9-24(34-17(23)3)35-29(39)42-30(5,6)7;1-14-7-22(33-27(38)40-28(4,5)6)32-15(2)21(14)13-31-25(37)26-35-34-23(39-26)10-17-8-18-11-19(29)12-30-24(18)20(9-17)16(3)36/h9-11,13-14H,4,8,12,15H2,1-3,5-7H3,(H,33,38)(H,34,35,39);7-9,11-12H,10,13H2,1-6H3,(H,31,37)(H,32,33,38).

What are the key properties of tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?

tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate has a molecular weight of 1158.11 g/mol, XLogP of 11.51, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is sourced from PubChem (CID 159732849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).