[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

C26H25ClN6O5 — CID 135354565

About [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (PubChem CID 135354565) has the molecular formula C26H25ClN6O5 and a molecular weight of 536.98 g/mol. Its IUPAC name is [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• PubChem CID: 135354565
• Molecular Formula: C26H25ClN6O5
• Molecular Weight: 536.98 g/mol
• Exact Mass: 536.16
• IUPAC Name: [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• SMILES: C=C(OCC)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)o2)cc2cc(Cl)cnc12
• InChI: InChI=1S/C26H25ClN6O5/c1-5-37-15(4)19-8-16(7-17-10-18(27)11-28-23(17)19)9-22-32-33-25(38-22)24(34)29-12-20-13(2)6-21(30-14(20)3)31-26(35)36/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,29,34)(H,30,31)(H,35,36)
• InChIKey: ZRKSEYZZCJOSBF-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 152.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.98
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The IUPAC name of [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (CID 135354565) is [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.

What is the SMILES notation for [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The canonical SMILES for [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is C=C(OCC)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)o2)cc2cc(Cl)cnc12.

What is the InChIKey of [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The InChIKey is ZRKSEYZZCJOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O5/c1-5-37-15(4)19-8-16(7-17-10-18(27)11-28-23(17)19)9-22-32-33-25(38-22)24(34)29-12-20-13(2)6-21(30-14(20)3)31-26(35)36/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,29,34)(H,30,31)(H,35,36).

What are the key properties of [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

[5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid has a molecular weight of 536.98 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[[5-[[3-chloro-8-(1-ethoxyethenyl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is sourced from PubChem (CID 135354565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).