tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate

C100H101F7N14O16 — CID 177478568

About tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate

tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate (PubChem CID 177478568) has the molecular formula C100H101F7N14O16 and a molecular weight of 1887.98 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate
• PubChem CID: 177478568
• Molecular Formula: C100H101F7N14O16
• Molecular Weight: 1887.98 g/mol
• Exact Mass: 1886.74
• IUPAC Name: tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate
• SMILES: CC(C)COc1cc(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2F)nc2c(F)c3nc(C(=O)Nc4cccc(NC(=O)c5cc(OCC(C)C)c6cc7c(OCC(C)C)cc(C(=O)Nc8cccc(NC(=O)c9cc(OCC(C)C)c%10cc%11c(OCC(C)C)cc(C(=O)Nc%12cccc(NC(=O)OC(C)(C)C)c%12F)nc%11c(F)c%10n9)c8F)nc7c(F)c6n5)c4F)cc(OCC(C)C)c3cc12
• InChI: InChI=1S/C100H101F7N14O16/c1-46(2)40-130-72-34-66(91(122)114-58-23-19-25-60(78(58)101)116-93(124)68-36-74(132-42-48(5)6)54-32-56-76(134-44-50(9)10)38-70(112-89(56)83(106)87(54)110-68)95(126)118-62-27-21-29-64(80(62)103)120-97(128)136-99(13,14)15)108-85-52(72)31-53-73(131-41-47(3)4)35-67(109-86(53)82(85)105)92(123)115-59-24-20-26-61(79(59)102)117-94(125)69-37-75(133-43-49(7)8)55-33-57-77(135-45-51(11)12)39-71(113-90(57)84(107)88(55)111-69)96(127)119-63-28-22-30-65(81(63)104)121-98(129)137-100(16,17)18/h19-39,46-51H,40-45H2,1-18H3,(H,114,122)(H,115,123)(H,116,124)(H,117,125)(H,118,126)(H,119,127)(H,120,128)(H,121,129)
• InChIKey: GPXICJALVDNEQF-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 383.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1887.98
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate?

The IUPAC name of tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate (CID 177478568) is tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate?

The canonical SMILES for tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate is CC(C)COc1cc(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2F)nc2c(F)c3nc(C(=O)Nc4cccc(NC(=O)c5cc(OCC(C)C)c6cc7c(OCC(C)C)cc(C(=O)Nc8cccc(NC(=O)c9cc(OCC(C)C)c%10cc%11c(OCC(C)C)cc(C(=O)Nc%12cccc(NC(=O)OC(C)(C)C)c%12F)nc%11c(F)c%10n9)c8F)nc7c(F)c6n5)c4F)cc(OCC(C)C)c3cc12.

What is the InChIKey of tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate?

The InChIKey is GPXICJALVDNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H101F7N14O16/c1-46(2)40-130-72-34-66(91(122)114-58-23-19-25-60(78(58)101)116-93(124)68-36-74(132-42-48(5)6)54-32-56-76(134-44-50(9)10)38-70(112-89(56)83(106)87(54)110-68)95(126)118-62-27-21-29-64(80(62)103)120-97(128)136-99(13,14)15)108-85-52(72)31-53-73(131-41-47(3)4)35-67(109-86(53)82(85)105)92(123)115-59-24-20-26-61(79(59)102)117-94(125)69-37-75(133-43-49(7)8)55-33-57-77(135-45-51(11)12)39-71(113-90(57)84(107)88(55)111-69)96(127)119-63-28-22-30-65(81(63)104)121-98(129)137-100(16,17)18/h19-39,46-51H,40-45H2,1-18H3,(H,114,122)(H,115,123)(H,116,124)(H,117,125)(H,118,126)(H,119,127)(H,120,128)(H,121,129).

What are the key properties of tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate?

tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 1887.98 g/mol, XLogP of 22.37, 32 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-fluoro-3-[[10-fluoro-8-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[[10-fluoro-2-[[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-8-carbonyl]amino]phenyl]carbamoyl]-4,6-bis(2-methylpropoxy)pyrido[3,2-g]quinoline-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 177478568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).