(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate

C70H68F3N9O13 — CID 158638151

About (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate

(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate (PubChem CID 158638151) has the molecular formula C70H68F3N9O13 and a molecular weight of 1300.36 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate.

Molecular Properties

• Compound Name: (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate
• PubChem CID: 158638151
• Molecular Formula: C70H68F3N9O13
• Molecular Weight: 1300.36 g/mol
• Exact Mass: 1299.49
• IUPAC Name: (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate
• SMILES: CC(=O)N1CCC(OC(=O)c2ncc3cc(Cc4ccc(F)cc4)cnc3c2O)CC1.COC(=O)c1cc(C(=O)N2CCN(C)CC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1cc(C(=O)NCC(=O)N(C)C)c2cc(Cc3ccc(F)cc3)cnc2c1O
• InChI: InChI=1S/C24H24FN3O4.C23H22FN3O5.C23H22FN3O4/c1-27-7-9-28(10-8-27)23(30)19-13-20(24(31)32-2)22(29)21-18(19)12-16(14-26-21)11-15-3-5-17(25)6-4-15;1-27(2)19(28)12-26-22(30)17-10-18(23(31)32-3)21(29)20-16(17)9-14(11-25-20)8-13-4-6-15(24)7-5-13;1-14(28)27-8-6-19(7-9-27)31-23(30)21-22(29)20-17(13-26-21)11-16(12-25-20)10-15-2-4-18(24)5-3-15/h3-6,12-14,29H,7-11H2,1-2H3;4-7,9-11,29H,8,12H2,1-3H3,(H,26,30);2-5,11-13,19,29H,6-10H2,1H3
• InChIKey: IAAKUDDHPTVPMK-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 284.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1300.36
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate?

The IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate (CID 158638151) is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate.

What is the SMILES notation for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate?

The canonical SMILES for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate is CC(=O)N1CCC(OC(=O)c2ncc3cc(Cc4ccc(F)cc4)cnc3c2O)CC1.COC(=O)c1cc(C(=O)N2CCN(C)CC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.COC(=O)c1cc(C(=O)NCC(=O)N(C)C)c2cc(Cc3ccc(F)cc3)cnc2c1O.

What is the InChIKey of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate?

The InChIKey is IAAKUDDHPTVPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4.C23H22FN3O5.C23H22FN3O4/c1-27-7-9-28(10-8-27)23(30)19-13-20(24(31)32-2)22(29)21-18(19)12-16(14-26-21)11-15-3-5-17(25)6-4-15;1-27(2)19(28)12-26-22(30)17-10-18(23(31)32-3)21(29)20-16(17)9-14(11-25-20)8-13-4-6-15(24)7-5-13;1-14(28)27-8-6-19(7-9-27)31-23(30)21-22(29)20-17(13-26-21)11-16(12-25-20)10-15-2-4-18(24)5-3-15/h3-6,12-14,29H,7-11H2,1-2H3;4-7,9-11,29H,8,12H2,1-3H3,(H,26,30);2-5,11-13,19,29H,6-10H2,1H3.

What are the key properties of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate?

(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate has a molecular weight of 1300.36 g/mol, XLogP of 8.35, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate;methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazine-1-carbonyl)quinoline-7-carboxylate is sourced from PubChem (CID 158638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).