sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate

C113H113F4N10NaO11 — CID 161357759

About sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate

sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate (PubChem CID 161357759) has the molecular formula C113H113F4N10NaO11 and a molecular weight of 1886.19 g/mol. Its IUPAC name is sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate.

Molecular Properties

• Compound Name: sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate
• PubChem CID: 161357759
• Molecular Formula: C113H113F4N10NaO11
• Molecular Weight: 1886.19 g/mol
• Exact Mass: 1884.84
• IUPAC Name: sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate
• SMILES: CC(=O)N(Cc1ccc2ccccc2n1)C1CCC(c2c(C)n(CC(=O)O)c3ccc(F)cc23)CC1.Cc1c(C2CCC(C(=O)Cc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NCc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)[O-].Cc1cccc2c(C(=O)NC3CCC(c4c(C)n(CC(=O)O)c5ccc(F)cc45)CC3)cccc12.[Na+]
• InChI: InChI=1S/C29H30FN3O3.C29H29FN2O3.C28H27FN2O3.C27H28FN3O2.Na/c1-18-29(25-15-22(30)10-14-27(25)32(18)17-28(35)36)21-8-12-24(13-9-21)33(19(2)34)16-23-11-7-20-5-3-4-6-26(20)31-23;1-17-5-3-7-23-22(17)6-4-8-24(23)29(35)31-21-12-9-19(10-13-21)28-18(2)32(16-27(33)34)26-14-11-20(30)15-25(26)28;1-17-28(23-14-21(29)11-13-25(23)31(17)16-27(33)34)20-8-6-19(7-9-20)26(32)15-22-12-10-18-4-2-3-5-24(18)30-22;1-17-27(23-14-20(28)9-13-25(23)31(17)16-26(32)33)19-7-10-21(11-8-19)29-15-22-12-6-18-4-2-3-5-24(18)30-22;/h3-7,10-11,14-15,21,24H,8-9,12-13,16-17H2,1-2H3,(H,35,36);3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,31,35)(H,33,34);2-5,10-14,19-20H,6-9,15-16H2,1H3,(H,33,34);2-6,9,12-14,19,21,29H,7-8,10-11,15-16H2,1H3,(H,32,33);/q;;;;+1/p-1
• InChIKey: VOTPVHSRSWJNFU-UHFFFAOYSA-M
• XLogP: 18.90
• TPSA: 288.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.19
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate?

The IUPAC name of sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate (CID 161357759) is sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate.

What is the SMILES notation for sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate?

The canonical SMILES for sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate is CC(=O)N(Cc1ccc2ccccc2n1)C1CCC(c2c(C)n(CC(=O)O)c3ccc(F)cc23)CC1.Cc1c(C2CCC(C(=O)Cc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NCc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)[O-].Cc1cccc2c(C(=O)NC3CCC(c4c(C)n(CC(=O)O)c5ccc(F)cc45)CC3)cccc12.[Na+].

What is the InChIKey of sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate?

The InChIKey is VOTPVHSRSWJNFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H30FN3O3.C29H29FN2O3.C28H27FN2O3.C27H28FN3O2.Na/c1-18-29(25-15-22(30)10-14-27(25)32(18)17-28(35)36)21-8-12-24(13-9-21)33(19(2)34)16-23-11-7-20-5-3-4-6-26(20)31-23;1-17-5-3-7-23-22(17)6-4-8-24(23)29(35)31-21-12-9-19(10-13-21)28-18(2)32(16-27(33)34)26-14-11-20(30)15-25(26)28;1-17-28(23-14-21(29)11-13-25(23)31(17)16-27(33)34)20-8-6-19(7-9-20)26(32)15-22-12-10-18-4-2-3-5-24(18)30-22;1-17-27(23-14-20(28)9-13-25(23)31(17)16-26(32)33)19-7-10-21(11-8-19)29-15-22-12-6-18-4-2-3-5-24(18)30-22;/h3-7,10-11,14-15,21,24H,8-9,12-13,16-17H2,1-2H3,(H,35,36);3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,31,35)(H,33,34);2-5,10-14,19-20H,6-9,15-16H2,1H3,(H,33,34);2-6,9,12-14,19,21,29H,7-8,10-11,15-16H2,1H3,(H,32,33);/q;;;;+1/p-1.

What are the key properties of sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate?

sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate has a molecular weight of 1886.19 g/mol, XLogP of 18.90, 23 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[3-[4-[acetyl(quinolin-2-ylmethyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(5-methylnaphthalene-1-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(2-quinolin-2-ylacetyl)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetate is sourced from PubChem (CID 161357759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).