(4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide

C113H113IN8O14 — CID 159025362

About (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide

(4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide (PubChem CID 159025362) has the molecular formula C113H113IN8O14 and a molecular weight of 1934.09 g/mol. Its IUPAC name is (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide.

Molecular Properties

• Compound Name: (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide
• PubChem CID: 159025362
• Molecular Formula: C113H113IN8O14
• Molecular Weight: 1934.09 g/mol
• Exact Mass: 1932.74
• IUPAC Name: (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide
• SMILES: Cc1cc(-c2c(C)c(C)cc3cc(CO)c(CO)cc23)ccn1.Cc1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CCC(=O)c4ccccc43)c2)c1C.Cc1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CC[C@H](O)c4ccccc43)c2)c1C.I.O=C1CCNc2ccccc21.OCc1cc2cc(CO)c(CO)c(-c3ccnc(N4CC[C@H](O)c5ccccc54)c3)c2cc1CO
• InChI: InChI=1S/C28H28N2O5.C28H28N2O3.C28H26N2O3.C20H21NO2.C9H9NO.HI/c31-13-19-9-18-10-21(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;2*1-17-11-20-12-21(15-31)22(16-32)13-24(20)28(18(17)2)19-7-9-29-27(14-19)30-10-8-26(33)23-5-3-4-6-25(23)30;1-12-6-16-8-17(10-22)18(11-23)9-19(16)20(14(12)3)15-4-5-21-13(2)7-15;11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-5,7,9-12,26,31-35H,6,8,13-16H2;3-7,9,11-14,26,31-33H,8,10,15-16H2,1-2H3;3-7,9,11-14,31-32H,8,10,15-16H2,1-2H3;4-9,22-23H,10-11H2,1-3H3;1-4,10H,5-6H2;1H/t2*26-;;;;/m00..../s1
• InChIKey: ORPBITKUBSUETG-LCJUCJOMSA-N
• XLogP: 19.87
• TPSA: 350.21 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1934.09
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide?

The IUPAC name of (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide (CID 159025362) is (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide.

What is the SMILES notation for (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide?

The canonical SMILES for (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide is Cc1cc(-c2c(C)c(C)cc3cc(CO)c(CO)cc23)ccn1.Cc1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CCC(=O)c4ccccc43)c2)c1C.Cc1cc2cc(CO)c(CO)cc2c(-c2ccnc(N3CC[C@H](O)c4ccccc43)c2)c1C.I.O=C1CCNc2ccccc21.OCc1cc2cc(CO)c(CO)c(-c3ccnc(N4CC[C@H](O)c5ccccc54)c3)c2cc1CO.

What is the InChIKey of (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide?

The InChIKey is ORPBITKUBSUETG-LCJUCJOMSA-N. The full InChI is InChI=1S/C28H28N2O5.C28H28N2O3.C28H26N2O3.C20H21NO2.C9H9NO.HI/c31-13-19-9-18-10-21(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;2*1-17-11-20-12-21(15-31)22(16-32)13-24(20)28(18(17)2)19-7-9-29-27(14-19)30-10-8-26(33)23-5-3-4-6-25(23)30;1-12-6-16-8-17(10-22)18(11-23)9-19(16)20(14(12)3)15-4-5-21-13(2)7-15;11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-5,7,9-12,26,31-35H,6,8,13-16H2;3-7,9,11-14,26,31-33H,8,10,15-16H2,1-2H3;3-7,9,11-14,31-32H,8,10,15-16H2,1-2H3;4-9,22-23H,10-11H2,1-3H3;1-4,10H,5-6H2;1H/t2*26-;;;;/m00..../s1.

What are the key properties of (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide?

(4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide has a molecular weight of 1934.09 g/mol, XLogP of 19.87, 17 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;1-[4-[6,7-bis(hydroxymethyl)-2,3-dimethylnaphthalen-1-yl]-2-pyridinyl]-2,3-dihydroquinolin-4-one;2,3-dihydro-1H-quinolin-4-one;[3-(hydroxymethyl)-6,7-dimethyl-5-(2-methyl-4-pyridinyl)naphthalen-2-yl]methanol;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;hydroiodide is sourced from PubChem (CID 159025362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).