cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

C57H59Cl2N9O9 — CID 158262152

About cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 158262152) has the molecular formula C57H59Cl2N9O9 and a molecular weight of 1085.06 g/mol. Its IUPAC name is cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 158262152
• Molecular Formula: C57H59Cl2N9O9
• Molecular Weight: 1085.06 g/mol
• Exact Mass: 1083.38
• IUPAC Name: cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(O)c2cccnc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.N#Cc1c(Cl)nc2ncccc2c1Cl.NC1CCCCC1
• InChI: InChI=1S/C23H25N3O4.C19H18N2O5.C9H3Cl2N3.C6H13N/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-3-26-19(24)15-16(22)14-5-4-10-20-17(14)21(18(15)23)11-12-6-8-13(25-2)9-7-12;10-7-5-2-1-3-13-9(5)14-8(11)6(7)4-12;7-6-4-2-1-3-5-6/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);4-10,22H,3,11H2,1-2H3;1-3H;6H,1-5,7H2
• InChIKey: GHZRJYITMAYHPF-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 259.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.06
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (CID 158262152) is cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.N#Cc1c(Cl)nc2ncccc2c1Cl.NC1CCCCC1.

What is the InChIKey of cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is GHZRJYITMAYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C19H18N2O5.C9H3Cl2N3.C6H13N/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-3-26-19(24)15-16(22)14-5-4-10-20-17(14)21(18(15)23)11-12-6-8-13(25-2)9-7-12;10-7-5-2-1-3-13-9(5)14-8(11)6(7)4-12;7-6-4-2-1-3-5-6/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);4-10,22H,3,11H2,1-2H3;1-3H;6H,1-5,7H2.

What are the key properties of cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?

cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 1085.06 g/mol, XLogP of 9.64, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanamine;N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2,4-dichloro-1,8-naphthyridine-3-carbonitrile;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 158262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).