6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol

C54H58N8O11 — CID 157412387

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol (PubChem CID 157412387) has the molecular formula C54H58N8O11 and a molecular weight of 995.10 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol
• PubChem CID: 157412387
• Molecular Formula: C54H58N8O11
• Molecular Weight: 995.10 g/mol
• Exact Mass: 994.42
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)N1CCC(O)CC1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)O)c(=O)n2Cc1ccccn1.OC1CCNCC1
• InChI: InChI=1S/C27H28N4O5.C22H19N3O5.C5H11NO/c1-16-25(17(2)36-29-16)21-12-18-13-22(26(33)30-10-7-20(32)8-11-30)27(34)31(23(18)14-24(21)35-3)15-19-6-4-5-9-28-19;1-12-20(13(2)30-24-12)16-8-14-9-17(22(27)28)21(26)25(18(14)10-19(16)29-3)11-15-6-4-5-7-23-15;7-5-1-3-6-4-2-5/h4-6,9,12-14,20,32H,7-8,10-11,15H2,1-3H3;4-10H,11H2,1-3H3,(H,27,28);5-7H,1-4H2
• InChIKey: BOKZRVIRDQCLLF-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 250.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.10
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol (CID 157412387) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol.

What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol?

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol is COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)N1CCC(O)CC1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)O)c(=O)n2Cc1ccccn1.OC1CCNCC1.

What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol?

The InChIKey is BOKZRVIRDQCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5.C22H19N3O5.C5H11NO/c1-16-25(17(2)36-29-16)21-12-18-13-22(26(33)30-10-7-20(32)8-11-30)27(34)31(23(18)14-24(21)35-3)15-19-6-4-5-9-28-19;1-12-20(13(2)30-24-12)16-8-14-9-17(22(27)28)21(26)25(18(14)10-19(16)29-3)11-15-6-4-5-7-23-15;7-5-1-3-6-4-2-5/h4-6,9,12-14,20,32H,7-8,10-11,15H2,1-3H3;4-10H,11H2,1-3H3,(H,27,28);5-7H,1-4H2.

What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol?

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol has a molecular weight of 995.10 g/mol, XLogP of 6.48, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxypiperidine-1-carbonyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid;piperidin-4-ol is sourced from PubChem (CID 157412387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).