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

C25H25ClN6O5 — CID 135354778

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

[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (PubChem CID 135354778) has the molecular formula C25H25ClN6O5 and a molecular weight of 524.97 g/mol. Its IUPAC name is [5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)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-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• PubChem CID: 135354778
• Molecular Formula: C25H25ClN6O5
• Molecular Weight: 524.97 g/mol
• Exact Mass: 524.16
• IUPAC Name: [5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• SMILES: Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/C25H25ClN6O5/c1-12-5-19(30-24(34)35)29-13(2)17(12)11-28-22(33)23-32-31-20(37-23)8-14-6-15-9-16(26)10-27-21(15)18(7-14)25(3,4)36/h5-7,9-10,36H,8,11H2,1-4H3,(H,28,33)(H,29,30)(H,34,35)
• InChIKey: ARDLFGNHCUKTJZ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 163.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.97
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)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-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (CID 135354778) is [5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)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-(2-hydroxypropan-2-yl)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-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.

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

The InChIKey is ARDLFGNHCUKTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O5/c1-12-5-19(30-24(34)35)29-13(2)17(12)11-28-22(33)23-32-31-20(37-23)8-14-6-15-9-16(26)10-27-21(15)18(7-14)25(3,4)36/h5-7,9-10,36H,8,11H2,1-4H3,(H,28,33)(H,29,30)(H,34,35).

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

[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid has a molecular weight of 524.97 g/mol, XLogP of 4.12, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is sourced from PubChem (CID 135354778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).