6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole

C54H55Cl3N12O6 — CID 158180565

About 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole

6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole (PubChem CID 158180565) has the molecular formula C54H55Cl3N12O6 and a molecular weight of 1074.47 g/mol. Its IUPAC name is 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole.

Molecular Properties

• Compound Name: 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole
• PubChem CID: 158180565
• Molecular Formula: C54H55Cl3N12O6
• Molecular Weight: 1074.47 g/mol
• Exact Mass: 1072.34
• IUPAC Name: 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(CCl)cnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Cn4ccnc4)cnc32)C1.c1c[nH]cn1
• InChI: InChI=1S/C27H27ClN6O3.C24H24Cl2N4O3.C3H4N2/c1-27(2)15-33(16-27)23(35)14-34-24-20(9-19(12-30-24)13-32-8-7-29-17-32)10-22(26(34)37)25(36)31-11-18-3-5-21(28)6-4-18;1-24(2)13-29(14-24)20(31)12-30-21-17(7-16(9-25)11-27-21)8-19(23(30)33)22(32)28-10-15-3-5-18(26)6-4-15;1-2-5-3-4-1/h3-10,12,17H,11,13-16H2,1-2H3,(H,31,36);3-8,11H,9-10,12-14H2,1-2H3,(H,28,32);1-3H,(H,4,5)
• InChIKey: FYNMXVJCDVPETM-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 215.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.47
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole?

The IUPAC name of 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole (CID 158180565) is 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole.

What is the SMILES notation for 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole?

The canonical SMILES for 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(CCl)cnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(Cn4ccnc4)cnc32)C1.c1c[nH]cn1.

What is the InChIKey of 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole?

The InChIKey is FYNMXVJCDVPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O3.C24H24Cl2N4O3.C3H4N2/c1-27(2)15-33(16-27)23(35)14-34-24-20(9-19(12-30-24)13-32-8-7-29-17-32)10-22(26(34)37)25(36)31-11-18-3-5-21(28)6-4-18;1-24(2)13-29(14-24)20(31)12-30-21-17(7-16(9-25)11-27-21)8-19(23(30)33)22(32)28-10-15-3-5-18(26)6-4-15;1-2-5-3-4-1/h3-10,12,17H,11,13-16H2,1-2H3,(H,31,36);3-8,11H,9-10,12-14H2,1-2H3,(H,28,32);1-3H,(H,4,5).

What are the key properties of 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole?

6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole has a molecular weight of 1074.47 g/mol, XLogP of 7.09, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-(imidazol-1-ylmethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;1H-imidazole is sourced from PubChem (CID 158180565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).