2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride

C106H101Cl3F4N12O11 — CID 157352429

About 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride

2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride (PubChem CID 157352429) has the molecular formula C106H101Cl3F4N12O11 and a molecular weight of 1901.40 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride.

Molecular Properties

• Compound Name: 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride
• PubChem CID: 157352429
• Molecular Formula: C106H101Cl3F4N12O11
• Molecular Weight: 1901.40 g/mol
• Exact Mass: 1898.67
• IUPAC Name: 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride
• SMILES: Cc1c(C2=CCCN(C(=O)c3ccc4ccccc4n3)C2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NC(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NCc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl
• InChI: InChI=1S/C27H26FN3O3.C27H28FN3O2.2C26H22FN3O3.3ClH/c1-16-26(21-14-19(28)9-13-24(21)31(16)15-25(32)33)18-6-10-20(11-7-18)29-27(34)23-12-8-17-4-2-3-5-22(17)30-23;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;1-16-25(20-13-19(27)9-11-23(20)30(16)15-24(31)32)18-6-4-12-29(14-18)26(33)22-10-8-17-5-2-3-7-21(17)28-22;1-16-25(20-14-19(27)7-9-23(20)30(16)15-24(31)32)18-10-12-29(13-11-18)26(33)22-8-6-17-4-2-3-5-21(17)28-22;;;/h2-5,8-9,12-14,18,20H,6-7,10-11,15H2,1H3,(H,29,34)(H,32,33);2-6,9,12-14,19,21,29H,7-8,10-11,15-16H2,1H3,(H,32,33);2-3,5-11,13H,4,12,14-15H2,1H3,(H,31,32);2-10,14H,11-13,15H2,1H3,(H,31,32);3*1H
• InChIKey: XGIYCUBMYOOFGH-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 302.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.40
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	6
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 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride?

The IUPAC name of 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride (CID 157352429) is 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride.

What is the SMILES notation for 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride?

The canonical SMILES for 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride is Cc1c(C2=CCCN(C(=O)c3ccc4ccccc4n3)C2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NC(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NCc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl.

What is the InChIKey of 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride?

The InChIKey is XGIYCUBMYOOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3.C27H28FN3O2.2C26H22FN3O3.3ClH/c1-16-26(21-14-19(28)9-13-24(21)31(16)15-25(32)33)18-6-10-20(11-7-18)29-27(34)23-12-8-17-4-2-3-5-22(17)30-23;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;1-16-25(20-13-19(27)9-11-23(20)30(16)15-24(31)32)18-6-4-12-29(14-18)26(33)22-10-8-17-5-2-3-7-21(17)28-22;1-16-25(20-14-19(27)7-9-23(20)30(16)15-24(31)32)18-10-12-29(13-11-18)26(33)22-8-6-17-4-2-3-5-21(17)28-22;;;/h2-5,8-9,12-14,18,20H,6-7,10-11,15H2,1H3,(H,29,34)(H,32,33);2-6,9,12-14,19,21,29H,7-8,10-11,15-16H2,1H3,(H,32,33);2-3,5-11,13H,4,12,14-15H2,1H3,(H,31,32);2-10,14H,11-13,15H2,1H3,(H,31,32);3*1H.

What are the key properties of 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride?

2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride has a molecular weight of 1901.40 g/mol, XLogP of 21.28, 19 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-2-methyl-3-[4-(quinoline-2-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylmethylamino)cyclohexyl]indol-1-yl]acetic acid;trihydrochloride is sourced from PubChem (CID 157352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).