2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate

C106H99N21O18 — CID 157050039

About 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate (PubChem CID 157050039) has the molecular formula C106H99N21O18 and a molecular weight of 1955.09 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate
• PubChem CID: 157050039
• Molecular Formula: C106H99N21O18
• Molecular Weight: 1955.09 g/mol
• Exact Mass: 1953.75
• IUPAC Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate
• SMILES: CCOC(=O)Cn1cc(-c2cc3cc(-c4c(C)noc4C)c(OC)cc3n(Cc3ccccn3)c2=O)cn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cn[nH]c1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cnn(CC(=O)NCCO)c1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cnn(CC(=O)O)c1)c(=O)n2Cc1ccccn1
• InChI: InChI=1S/C28H28N6O5.C28H27N5O5.C26H23N5O5.C24H21N5O3/c1-17-27(18(2)39-32-17)23-11-19-10-22(20-13-31-33(14-20)16-26(36)30-8-9-35)28(37)34(24(19)12-25(23)38-3)15-21-6-4-5-7-29-21;1-5-37-26(34)16-32-14-20(13-30-32)22-10-19-11-23(27-17(2)31-38-18(27)3)25(36-4)12-24(19)33(28(22)35)15-21-8-6-7-9-29-21;1-15-25(16(2)36-29-15)21-9-17-8-20(18-11-28-30(12-18)14-24(32)33)26(34)31(22(17)10-23(21)35-3)13-19-6-4-5-7-27-19;1-14-23(15(2)32-28-14)20-9-16-8-19(17-11-26-27-12-17)24(30)29(21(16)10-22(20)31-3)13-18-6-4-5-7-25-18/h4-7,10-14,35H,8-9,15-16H2,1-3H3,(H,30,36);6-14H,5,15-16H2,1-4H3;4-12H,13-14H2,1-3H3,(H,32,33);4-12H,13H2,1-3H3,(H,26,27)
• InChIKey: AABZMDKEZYJNCN-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 475.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1955.09
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate (CID 157050039) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate.

What is the SMILES notation for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate?

The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2cc3cc(-c4c(C)noc4C)c(OC)cc3n(Cc3ccccn3)c2=O)cn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cn[nH]c1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cnn(CC(=O)NCCO)c1)c(=O)n2Cc1ccccn1.COc1cc2c(cc1-c1c(C)noc1C)cc(-c1cnn(CC(=O)O)c1)c(=O)n2Cc1ccccn1.

What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate?

The InChIKey is AABZMDKEZYJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O5.C28H27N5O5.C26H23N5O5.C24H21N5O3/c1-17-27(18(2)39-32-17)23-11-19-10-22(20-13-31-33(14-20)16-26(36)30-8-9-35)28(37)34(24(19)12-25(23)38-3)15-21-6-4-5-7-29-21;1-5-37-26(34)16-32-14-20(13-30-32)22-10-19-11-23(27-17(2)31-38-18(27)3)25(36-4)12-24(19)33(28(22)35)15-21-8-6-7-9-29-21;1-15-25(16(2)36-29-15)21-9-17-8-20(18-11-28-30(12-18)14-24(32)33)26(34)31(22(17)10-23(21)35-3)13-19-6-4-5-7-27-19;1-14-23(15(2)32-28-14)20-9-16-8-19(17-11-26-27-12-17)24(30)29(21(16)10-22(20)31-3)13-18-6-4-5-7-25-18/h4-7,10-14,35H,8-9,15-16H2,1-3H3,(H,30,36);6-14H,5,15-16H2,1-4H3;4-12H,13-14H2,1-3H3,(H,32,33);4-12H,13H2,1-3H3,(H,26,27).

What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate?

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate has a molecular weight of 1955.09 g/mol, XLogP of 14.64, 29 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 157050039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).