[3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol

C53H61BrCl2N8O13 — CID 158272178

About [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol

[3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol (PubChem CID 158272178) has the molecular formula C53H61BrCl2N8O13 and a molecular weight of 1168.92 g/mol. Its IUPAC name is [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol.

Molecular Properties

• Compound Name: [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol
• PubChem CID: 158272178
• Molecular Formula: C53H61BrCl2N8O13
• Molecular Weight: 1168.92 g/mol
• Exact Mass: 1166.29
• IUPAC Name: [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol
• SMILES: CN(CC1(CO)COC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.CNCC1(CO)COC1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.OCC1(CBr)COC1
• InChI: InChI=1S/C24H25ClN4O5.C18H14ClN3O4.C6H13NO2.C5H9BrO2/c1-28(12-24(13-30)14-34-15-24)20(31)11-29-21-17(3-2-8-26-21)9-19(23(29)33)22(32)27-10-16-4-6-18(25)7-5-16;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-7-2-6(3-8)4-9-5-6;6-1-5(2-7)3-8-4-5/h2-9,30H,10-15H2,1H3,(H,27,32);1-8H,9-10H2,(H,21,25)(H,23,24);7-8H,2-5H2,1H3;7H,1-4H2
• InChIKey: GJEDHTBXYPVIHV-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 286.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.92
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The IUPAC name of [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol (CID 158272178) is [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol.

What is the SMILES notation for [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The canonical SMILES for [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol is CN(CC1(CO)COC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.CNCC1(CO)COC1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.OCC1(CBr)COC1.

What is the InChIKey of [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

The InChIKey is GJEDHTBXYPVIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5.C18H14ClN3O4.C6H13NO2.C5H9BrO2/c1-28(12-24(13-30)14-34-15-24)20(31)11-29-21-17(3-2-8-26-21)9-19(23(29)33)22(32)27-10-16-4-6-18(25)7-5-16;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-7-2-6(3-8)4-9-5-6;6-1-5(2-7)3-8-4-5/h2-9,30H,10-15H2,1H3,(H,27,32);1-8H,9-10H2,(H,21,25)(H,23,24);7-8H,2-5H2,1H3;7H,1-4H2.

What are the key properties of [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol?

[3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol has a molecular weight of 1168.92 g/mol, XLogP of 3.12, 18 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(bromomethyl)oxetan-3-yl]methanol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;[3-(methylaminomethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 158272178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).