chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)

C138H154Cl12N16O22 — CID 139119223

About chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)

chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane) (PubChem CID 139119223) has the molecular formula C138H154Cl12N16O22 and a molecular weight of 2814.28 g/mol. Its IUPAC name is chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane).

Molecular Properties

• Compound Name: chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)
• PubChem CID: 139119223
• Molecular Formula: C138H154Cl12N16O22
• Molecular Weight: 2814.28 g/mol
• Exact Mass: 2806.77
• IUPAC Name: chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)
• SMILES: CCCCC.CCCCC.COC(=O)c1cc(OCC(C)C)c2cccc(NC(=O)c3cc(OCC(C)C)c4cccc(NC(=O)c5cc(OCC(C)C)c6cccc(NC(=O)c7cc(OCC(C)C)c8cccc(NC(=O)c9cc(OC)c(C(=O)Nc%10cccc%11c(OCC(C)C)cc(C(=O)Nc%12cccc%13c(OCC(C)C)cc(C(=O)Nc%14cccc%15c(OCC(C)C)cc(C(=O)Nc%16cccc%17c(OCC(C)C)cc(C(=O)OC)nc%16%17)nc%14%15)nc%12%13)nc%10%11)cc9OC)c8n7)c6n5)c4n3)c2n1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• InChI: InChI=1S/C124H126N16O22.2C5H12.4CHCl3/c1-63(2)55-155-99-47-89(117(143)135-83-39-23-31-73-101(157-57-65(5)6)49-91(127-109(73)83)119(145)137-85-41-25-33-75-103(159-59-67(9)10)51-93(129-111(75)85)121(147)139-87-43-27-35-77-105(161-61-69(13)14)53-95(123(149)153-19)131-113(77)87)125-107-71(99)29-21-37-81(107)133-115(141)79-45-98(152-18)80(46-97(79)151-17)116(142)134-82-38-22-30-72-100(156-56-64(3)4)48-90(126-108(72)82)118(144)136-84-40-24-32-74-102(158-58-66(7)8)50-92(128-110(74)84)120(146)138-86-42-26-34-76-104(160-60-68(11)12)52-94(130-112(76)86)122(148)140-88-44-28-36-78-106(162-62-70(15)16)54-96(124(150)154-20)132-114(78)88;2*1-3-5-4-2;4*2-1(3)4/h21-54,63-70H,55-62H2,1-20H3,(H,133,141)(H,134,142)(H,135,143)(H,136,144)(H,137,145)(H,138,146)(H,139,147)(H,140,148);2*3-5H2,1-2H3;4*1H
• InChIKey: UCQCURIFMSOJNG-UHFFFAOYSA-N
• XLogP: 36.30
• TPSA: 480.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 48
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2814.28
LogP ≤ 5	36.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)?

The IUPAC name of chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane) (CID 139119223) is chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane).

What is the SMILES notation for chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)?

The canonical SMILES for chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane) is CCCCC.CCCCC.COC(=O)c1cc(OCC(C)C)c2cccc(NC(=O)c3cc(OCC(C)C)c4cccc(NC(=O)c5cc(OCC(C)C)c6cccc(NC(=O)c7cc(OCC(C)C)c8cccc(NC(=O)c9cc(OC)c(C(=O)Nc%10cccc%11c(OCC(C)C)cc(C(=O)Nc%12cccc%13c(OCC(C)C)cc(C(=O)Nc%14cccc%15c(OCC(C)C)cc(C(=O)Nc%16cccc%17c(OCC(C)C)cc(C(=O)OC)nc%16%17)nc%14%15)nc%12%13)nc%10%11)cc9OC)c8n7)c6n5)c4n3)c2n1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.

What is the InChIKey of chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)?

The InChIKey is UCQCURIFMSOJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H126N16O22.2C5H12.4CHCl3/c1-63(2)55-155-99-47-89(117(143)135-83-39-23-31-73-101(157-57-65(5)6)49-91(127-109(73)83)119(145)137-85-41-25-33-75-103(159-59-67(9)10)51-93(129-111(75)85)121(147)139-87-43-27-35-77-105(161-61-69(13)14)53-95(123(149)153-19)131-113(77)87)125-107-71(99)29-21-37-81(107)133-115(141)79-45-98(152-18)80(46-97(79)151-17)116(142)134-82-38-22-30-72-100(156-56-64(3)4)48-90(126-108(72)82)118(144)136-84-40-24-32-74-102(158-58-66(7)8)50-92(128-110(74)84)120(146)138-86-42-26-34-76-104(160-60-68(11)12)52-94(130-112(76)86)122(148)140-88-44-28-36-78-106(162-62-70(15)16)54-96(124(150)154-20)132-114(78)88;2*1-3-5-4-2;4*2-1(3)4/h21-54,63-70H,55-62H2,1-20H3,(H,133,141)(H,134,142)(H,135,143)(H,136,144)(H,137,145)(H,138,146)(H,139,147)(H,140,148);2*3-5H2,1-2H3;4*1H.

What are the key properties of chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane)?

chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane) has a molecular weight of 2814.28 g/mol, XLogP of 36.30, 48 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;methyl 8-[[8-[[8-[[8-[[2,5-dimethoxy-4-[[2-[[2-[[2-[[2-methoxycarbonyl-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]-4-(2-methylpropoxy)quinolin-8-yl]carbamoyl]benzoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate;bis(pentane) is sourced from PubChem (CID 139119223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).