dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide

C119H120BrIN8O21 — CID 160922323

About dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide

dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide (PubChem CID 160922323) has the molecular formula C119H120BrIN8O21 and a molecular weight of 2205.11 g/mol. Its IUPAC name is dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide.

Molecular Properties

• Compound Name: dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide
• PubChem CID: 160922323
• Molecular Formula: C119H120BrIN8O21
• Molecular Weight: 2205.11 g/mol
• Exact Mass: 2202.68
• IUPAC Name: dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide
• SMILES: COC(=O)c1cc2cc(CO)c(CO)cc2c(-c2ccnc(Br)c2)c1C(=O)OC.COC(=O)c1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CC[C@H](C)c4ccccc43)c2)c1C(=O)OC.C[C@@H]1CCNc2ccccc21.C[C@H]1CCN(c2cc(-c3c(CO)c(CO)cc4cc(CO)c(CO)cc34)ccn2)c2ccccc21.I.OCc1cc2cc(CO)c(CO)c(-c3ccnc(N4CC[C@H](O)c5ccccc54)c3)c2cc1CO
• InChI: InChI=1S/C31H30N2O6.C29H30N2O4.C28H28N2O5.C21H18BrNO6.C10H13N.HI/c1-18-9-11-33(26-7-5-4-6-23(18)26)27-15-19(8-10-32-27)28-24-14-22(17-35)21(16-34)12-20(24)13-25(30(36)38-2)29(28)31(37)39-3;1-18-7-9-31(27-5-3-2-4-24(18)27)28-13-19(6-8-30-28)29-25-12-22(15-33)21(14-32)10-20(25)11-23(16-34)26(29)17-35;31-13-19-9-18-10-21(15-33)24(16-34)28(23(18)11-20(19)14-32)17-5-7-29-27(12-17)30-8-6-26(35)22-3-1-2-4-25(22)30;1-28-20(26)16-6-12-5-13(9-24)14(10-25)7-15(12)18(19(16)21(27)29-2)11-3-4-23-17(22)8-11;1-8-6-7-11-10-5-3-2-4-9(8)10;/h4-8,10,12-15,18,34-35H,9,11,16-17H2,1-3H3;2-6,8,10-13,18,32-35H,7,9,14-17H2,1H3;1-5,7,9-12,26,31-35H,6,8,13-16H2;3-8,24-25H,9-10H2,1-2H3;2-5,8,11H,6-7H2,1H3;1H/t2*18-;26-;;8-;/m000.1./s1
• InChIKey: UHNHDTIEDFZZAV-SXXLEFAOSA-N
• XLogP: 19.51
• TPSA: 441.50 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.11
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide?

The IUPAC name of dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide (CID 160922323) is dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide.

What is the SMILES notation for dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide?

The canonical SMILES for dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide is COC(=O)c1cc2cc(CO)c(CO)cc2c(-c2ccnc(Br)c2)c1C(=O)OC.COC(=O)c1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CC[C@H](C)c4ccccc43)c2)c1C(=O)OC.C[C@@H]1CCNc2ccccc21.C[C@H]1CCN(c2cc(-c3c(CO)c(CO)cc4cc(CO)c(CO)cc34)ccn2)c2ccccc21.I.OCc1cc2cc(CO)c(CO)c(-c3ccnc(N4CC[C@H](O)c5ccccc54)c3)c2cc1CO.

What is the InChIKey of dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide?

The InChIKey is UHNHDTIEDFZZAV-SXXLEFAOSA-N. The full InChI is InChI=1S/C31H30N2O6.C29H30N2O4.C28H28N2O5.C21H18BrNO6.C10H13N.HI/c1-18-9-11-33(26-7-5-4-6-23(18)26)27-15-19(8-10-32-27)28-24-14-22(17-35)21(16-34)12-20(24)13-25(30(36)38-2)29(28)31(37)39-3;1-18-7-9-31(27-5-3-2-4-24(18)27)28-13-19(6-8-30-28)29-25-12-22(15-33)21(14-32)10-20(25)11-23(16-34)26(29)17-35;31-13-19-9-18-10-21(15-33)24(16-34)28(23(18)11-20(19)14-32)17-5-7-29-27(12-17)30-8-6-26(35)22-3-1-2-4-25(22)30;1-28-20(26)16-6-12-5-13(9-24)14(10-25)7-15(12)18(19(16)21(27)29-2)11-3-4-23-17(22)8-11;1-8-6-7-11-10-5-3-2-4-9(8)10;/h4-8,10,12-15,18,34-35H,9,11,16-17H2,1-3H3;2-6,8,10-13,18,32-35H,7,9,14-17H2,1H3;1-5,7,9-12,26,31-35H,6,8,13-16H2;3-8,24-25H,9-10H2,1-2H3;2-5,8,11H,6-7H2,1H3;1H/t2*18-;26-;;8-;/m000.1./s1.

What are the key properties of dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide?

dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide has a molecular weight of 2205.11 g/mol, XLogP of 19.51, 23 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide is sourced from PubChem (CID 160922323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).