azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

C60H82BrF2N11O11 — CID 164989172

About azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane

azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (PubChem CID 164989172) has the molecular formula C60H82BrF2N11O11 and a molecular weight of 1251.28 g/mol. Its IUPAC name is azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

Molecular Properties

• Compound Name: azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• PubChem CID: 164989172
• Molecular Formula: C60H82BrF2N11O11
• Molecular Weight: 1251.28 g/mol
• Exact Mass: 1249.53
• IUPAC Name: azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
• SMILES: C.CCOC(=O)C[C@@H](c1ccc(O)c(F)c1)N(C)C(=O)CCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CN(C(=O)CCCCc1ccc2c(n1)CCCC2)[C@@H](CC(=O)O)c1ccc(OCCOCCN=[N+]=[N-])c(F)c1.[N-]=[N+]=NCBr
• InChI: InChI=1S/C30H40FN3O6.C28H36FN5O5.CH2BrN3.CH4/c1-6-39-27(37)19-24(21-14-16-25(35)23(31)18-21)33(5)26(36)12-8-7-11-22-15-13-20-10-9-17-34(28(20)32-22)29(38)40-30(2,3)4;1-34(27(35)9-5-3-7-22-12-10-20-6-2-4-8-24(20)32-22)25(19-28(36)37)21-11-13-26(23(29)18-21)39-17-16-38-15-14-31-33-30;2-1-4-5-3;/h13-16,18,24,35H,6-12,17,19H2,1-5H3;10-13,18,25H,2-9,14-17,19H2,1H3,(H,36,37);1H2;1H4/t24-;25-;;/m00../s1
• InChIKey: GPMKNOQGHOCVPC-MMGHYMBISA-N
• XLogP: 12.96
• TPSA: 295.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.28
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The IUPAC name of azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane (CID 164989172) is azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane.

What is the SMILES notation for azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The canonical SMILES for azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is C.CCOC(=O)C[C@@H](c1ccc(O)c(F)c1)N(C)C(=O)CCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CN(C(=O)CCCCc1ccc2c(n1)CCCC2)[C@@H](CC(=O)O)c1ccc(OCCOCCN=[N+]=[N-])c(F)c1.[N-]=[N+]=NCBr.

What is the InChIKey of azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

The InChIKey is GPMKNOQGHOCVPC-MMGHYMBISA-N. The full InChI is InChI=1S/C30H40FN3O6.C28H36FN5O5.CH2BrN3.CH4/c1-6-39-27(37)19-24(21-14-16-25(35)23(31)18-21)33(5)26(36)12-8-7-11-22-15-13-20-10-9-17-34(28(20)32-22)29(38)40-30(2,3)4;1-34(27(35)9-5-3-7-22-12-10-20-6-2-4-8-24(20)32-22)25(19-28(36)37)21-11-13-26(23(29)18-21)39-17-16-38-15-14-31-33-30;2-1-4-5-3;/h13-16,18,24,35H,6-12,17,19H2,1-5H3;10-13,18,25H,2-9,14-17,19H2,1H3,(H,36,37);1H2;1H4/t24-;25-;;/m00../s1.

What are the key properties of azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane?

azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane has a molecular weight of 1251.28 g/mol, XLogP of 12.96, 27 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for azido(bromo)methane;(3S)-3-[4-[2-(2-azidoethoxy)ethoxy]-3-fluorophenyl]-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]propanoic acid;tert-butyl 7-[5-[[(1S)-3-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-3-oxopropyl]-methylamino]-5-oxopentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane is sourced from PubChem (CID 164989172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).