methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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

C118H116Cl8N16O19 — CID 177419773

IUPACmethyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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
SMILESCOC(=O)c1cc(OCC(C)C)c2ccc(NC(=O)c3cc(OCC(C)C)c4ccc(NC(=O)c5cc(OCC(C)C)c6ccc(NC(=O)c7cc(OCC(C)C)c8ccc(NC(=O)c9cc(OCC(C)C)c%10ccc(NC(=O)c%11cc(OCC(C)C)c%12ccc(NC(=O)c%13cc(OCC(C)C)c%14ccc(NC(=O)c%15cc(OCC(C)C)c%16ccc(NC(=O)OC(C)(C)C)c(Cl)c%16n%15)c(Cl)c%14n%13)c(Cl)c%12n%11)c(Cl)c%10n9)c(Cl)c8n7)c(Cl)c6n5)c(Cl)c4n3)c(Cl)c2n1
InChIInChI=1S/C118H116Cl8N16O19/c1-53(2)45-153-85-37-77(127-101-61(85)22-30-70(94(101)120)136-111(145)79-39-87(155-47-55(5)6)63-24-32-72(96(122)103(63)129-79)138-113(147)81-41-89(157-49-57(9)10)65-26-34-74(98(124)105(65)131-81)140-115(149)83-43-91(159-51-59(13)14)67-28-36-76(100(126)107(67)133-83)142-117(151)161-118(17,18)19)109(143)135-69-29-21-62-86(154-46-54(3)4)38-78(128-102(62)93(69)119)110(144)137-71-31-23-64-88(156-48-56(7)8)40-80(130-104(64)95(71)121)112(146)139-73-33-25-66-90(158-50-58(11)12)42-82(132-106(66)97(73)123)114(148)141-75-35-27-68-92(160-52-60(15)16)44-84(116(150)152-20)134-108(68)99(75)125/h21-44,53-60H,45-52H2,1-20H3,(H,135,143)(H,136,145)(H,137,144)(H,138,147)(H,139,146)(H,140,149)(H,141,148)(H,142,151)
InChIKeyAIBLPPOHWRWOGN-UHFFFAOYSA-N
MW2345.94 g/mol
LogP29.48
Rot. Bonds40

About methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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

methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 (PubChem CID 177419773) has the molecular formula C118H116Cl8N16O19 and a molecular weight of 2345.94 g/mol. Its IUPAC name is methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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.

Molecular Properties

Compound Namemethyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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
PubChem CID177419773
Molecular FormulaC118H116Cl8N16O19
Molecular Weight2345.94 g/mol
Exact Mass2340.61
IUPAC Namemethyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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
SMILESCOC(=O)c1cc(OCC(C)C)c2ccc(NC(=O)c3cc(OCC(C)C)c4ccc(NC(=O)c5cc(OCC(C)C)c6ccc(NC(=O)c7cc(OCC(C)C)c8ccc(NC(=O)c9cc(OCC(C)C)c%10ccc(NC(=O)c%11cc(OCC(C)C)c%12ccc(NC(=O)c%13cc(OCC(C)C)c%14ccc(NC(=O)c%15cc(OCC(C)C)c%16ccc(NC(=O)OC(C)(C)C)c(Cl)c%16n%15)c(Cl)c%14n%13)c(Cl)c%12n%11)c(Cl)c%10n9)c(Cl)c8n7)c(Cl)c6n5)c(Cl)c4n3)c(Cl)c2n1
InChIInChI=1S/C118H116Cl8N16O19/c1-53(2)45-153-85-37-77(127-101-61(85)22-30-70(94(101)120)136-111(145)79-39-87(155-47-55(5)6)63-24-32-72(96(122)103(63)129-79)138-113(147)81-41-89(157-49-57(9)10)65-26-34-74(98(124)105(65)131-81)140-115(149)83-43-91(159-51-59(13)14)67-28-36-76(100(126)107(67)133-83)142-117(151)161-118(17,18)19)109(143)135-69-29-21-62-86(154-46-54(3)4)38-78(128-102(62)93(69)119)110(144)137-71-31-23-64-88(156-48-56(7)8)40-80(130-104(64)95(71)121)112(146)139-73-33-25-66-90(158-50-58(11)12)42-82(132-106(66)97(73)123)114(148)141-75-35-27-68-92(160-52-60(15)16)44-84(116(150)152-20)134-108(68)99(75)125/h21-44,53-60H,45-52H2,1-20H3,(H,135,143)(H,136,145)(H,137,144)(H,138,147)(H,139,146)(H,140,149)(H,141,148)(H,142,151)
InChIKeyAIBLPPOHWRWOGN-UHFFFAOYSA-N
XLogP29.48
TPSA445.29 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds40
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.94
LogP ≤ 529.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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?
The IUPAC name of methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 (CID 177419773) is methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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.
What is the SMILES notation for methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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?
The canonical SMILES for methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 is COC(=O)c1cc(OCC(C)C)c2ccc(NC(=O)c3cc(OCC(C)C)c4ccc(NC(=O)c5cc(OCC(C)C)c6ccc(NC(=O)c7cc(OCC(C)C)c8ccc(NC(=O)c9cc(OCC(C)C)c%10ccc(NC(=O)c%11cc(OCC(C)C)c%12ccc(NC(=O)c%13cc(OCC(C)C)c%14ccc(NC(=O)c%15cc(OCC(C)C)c%16ccc(NC(=O)OC(C)(C)C)c(Cl)c%16n%15)c(Cl)c%14n%13)c(Cl)c%12n%11)c(Cl)c%10n9)c(Cl)c8n7)c(Cl)c6n5)c(Cl)c4n3)c(Cl)c2n1.
What is the InChIKey of methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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?
The InChIKey is AIBLPPOHWRWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H116Cl8N16O19/c1-53(2)45-153-85-37-77(127-101-61(85)22-30-70(94(101)120)136-111(145)79-39-87(155-47-55(5)6)63-24-32-72(96(122)103(63)129-79)138-113(147)81-41-89(157-49-57(9)10)65-26-34-74(98(124)105(65)131-81)140-115(149)83-43-91(159-51-59(13)14)67-28-36-76(100(126)107(67)133-83)142-117(151)161-118(17,18)19)109(143)135-69-29-21-62-86(154-46-54(3)4)38-78(128-102(62)93(69)119)110(144)137-71-31-23-64-88(156-48-56(7)8)40-80(130-104(64)95(71)121)112(146)139-73-33-25-66-90(158-50-58(11)12)42-82(132-106(66)97(73)123)114(148)141-75-35-27-68-92(160-52-60(15)16)44-84(116(150)152-20)134-108(68)99(75)125/h21-44,53-60H,45-52H2,1-20H3,(H,135,143)(H,136,145)(H,137,144)(H,138,147)(H,139,146)(H,140,149)(H,141,148)(H,142,151).
What are the key properties of methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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?
methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 has a molecular weight of 2345.94 g/mol, XLogP of 29.48, 40 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[[8-chloro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-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-carbonyl]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 is sourced from PubChem (CID 177419773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).