4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol

C125H114N14O16 — CID 157077857

About 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol

4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol (PubChem CID 157077857) has the molecular formula C125H114N14O16 and a molecular weight of 2068.37 g/mol. Its IUPAC name is 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol
• PubChem CID: 157077857
• Molecular Formula: C125H114N14O16
• Molecular Weight: 2068.37 g/mol
• Exact Mass: 2066.85
• IUPAC Name: 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol
• SMILES: CC(=O)Oc1ccc(-c2ccnc3cc(O)ccc23)cc1C.CCCCOc1ccc2c(-c3ccc(O)c(C)c3)ccnc2n1.COC(=O)c1cc2nccc(-c3ccc(O)c(C)c3)c2cn1.COC(=O)c1cnc2c(-c3ccc(O)c(C)c3)ccnc2c1.Cc1cc(-c2ccnc3c2ccc2[nH]cnc23)ccc1O.Cc1cc(-c2ccnc3cc(O)ccc23)c[nH]c1=O.Cc1cc(-c2ccnc3nc(OCCCCC(C)C)ccc23)ccc1O
• InChI: InChI=1S/C22H26N2O2.C19H20N2O2.C18H15NO3.C17H13N3O.2C17H14N2O3.C15H12N2O2/c1-15(2)6-4-5-13-26-21-10-8-19-18(11-12-23-22(19)24-21)17-7-9-20(25)16(3)14-17;1-3-4-11-23-18-8-6-16-15(9-10-20-19(16)21-18)14-5-7-17(22)13(2)12-14;1-11-9-13(3-6-18(11)22-12(2)20)15-7-8-19-17-10-14(21)4-5-16(15)17;1-10-8-11(2-5-15(10)21)12-6-7-18-16-13(12)3-4-14-17(16)20-9-19-14;1-10-7-11(3-4-15(10)20)13-5-6-18-14-8-12(17(21)22-2)9-19-16(13)14;1-10-7-11(3-4-16(10)20)12-5-6-18-14-8-15(17(21)22-2)19-9-13(12)14;1-9-6-10(8-17-15(9)19)12-4-5-16-14-7-11(18)2-3-13(12)14/h7-12,14-15,25H,4-6,13H2,1-3H3;5-10,12,22H,3-4,11H2,1-2H3;3-10,21H,1-2H3;2-9,21H,1H3,(H,19,20);2*3-9,20H,1-2H3;2-8,18H,1H3,(H,17,19)
• InChIKey: ADEKVCQRACZSRS-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 442.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.37
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol?

The IUPAC name of 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol (CID 157077857) is 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol.

What is the SMILES notation for 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol?

The canonical SMILES for 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol is CC(=O)Oc1ccc(-c2ccnc3cc(O)ccc23)cc1C.CCCCOc1ccc2c(-c3ccc(O)c(C)c3)ccnc2n1.COC(=O)c1cc2nccc(-c3ccc(O)c(C)c3)c2cn1.COC(=O)c1cnc2c(-c3ccc(O)c(C)c3)ccnc2c1.Cc1cc(-c2ccnc3c2ccc2[nH]cnc23)ccc1O.Cc1cc(-c2ccnc3cc(O)ccc23)c[nH]c1=O.Cc1cc(-c2ccnc3nc(OCCCCC(C)C)ccc23)ccc1O.

What is the InChIKey of 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol?

The InChIKey is ADEKVCQRACZSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C19H20N2O2.C18H15NO3.C17H13N3O.2C17H14N2O3.C15H12N2O2/c1-15(2)6-4-5-13-26-21-10-8-19-18(11-12-23-22(19)24-21)17-7-9-20(25)16(3)14-17;1-3-4-11-23-18-8-6-16-15(9-10-20-19(16)21-18)14-5-7-17(22)13(2)12-14;1-11-9-13(3-6-18(11)22-12(2)20)15-7-8-19-17-10-14(21)4-5-16(15)17;1-10-8-11(2-5-15(10)21)12-6-7-18-16-13(12)3-4-14-17(16)20-9-19-14;1-10-7-11(3-4-15(10)20)13-5-6-18-14-8-12(17(21)22-2)9-19-16(13)14;1-10-7-11(3-4-16(10)20)12-5-6-18-14-8-15(17(21)22-2)19-9-13(12)14;1-9-6-10(8-17-15(9)19)12-4-5-16-14-7-11(18)2-3-13(12)14/h7-12,14-15,25H,4-6,13H2,1-3H3;5-10,12,22H,3-4,11H2,1-2H3;3-10,21H,1-2H3;2-9,21H,1H3,(H,19,20);2*3-9,20H,1-2H3;2-8,18H,1H3,(H,17,19).

What are the key properties of 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol?

4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol has a molecular weight of 2068.37 g/mol, XLogP of 26.44, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-butoxy-1,8-naphthyridin-4-yl)-2-methylphenol;[4-(7-hydroxyquinolin-4-yl)-2-methylphenyl] acetate;5-(7-hydroxyquinolin-4-yl)-3-methyl-1H-pyridin-2-one;4-(3H-imidazo[4,5-h]quinolin-6-yl)-2-methylphenol;methyl 4-(4-hydroxy-3-methylphenyl)-1,6-naphthyridine-7-carboxylate;methyl 8-(4-hydroxy-3-methylphenyl)-1,5-naphthyridine-3-carboxylate;2-methyl-4-[7-(5-methylhexoxy)-1,8-naphthyridin-4-yl]phenol is sourced from PubChem (CID 157077857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).