methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate

C113H116N16O17 — CID 177484902

IUPACmethyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
SMILESCOC(=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(OCC(C)C)c%10cccc(NC(=O)c%11cc(OCC(C)C)c%12cccc(NC(=O)c%13cc(OCC(C)C)c%14cccc(NC(=O)c%15cc(OCC(C)C)c%16cccc(N)c%16n%15)c%14n%13)c%12n%11)c%10n9)c8n7)c6n5)c4n3)c2n1
InChIInChI=1S/C113H116N16O17/c1-58(2)50-139-90-42-82(115-98-66(90)26-18-34-74(98)114)106(130)123-75-35-19-27-67-91(140-51-59(3)4)43-83(116-99(67)75)107(131)124-76-36-20-28-68-92(141-52-60(5)6)44-84(117-100(68)76)108(132)125-77-37-21-29-69-93(142-53-61(7)8)45-85(118-101(69)77)109(133)126-78-38-22-30-70-94(143-54-62(9)10)46-86(119-102(70)78)110(134)127-79-39-23-31-71-95(144-55-63(11)12)47-87(120-103(71)79)111(135)128-80-40-24-32-72-96(145-56-64(13)14)48-88(121-104(72)80)112(136)129-81-41-25-33-73-97(146-57-65(15)16)49-89(113(137)138-17)122-105(73)81/h18-49,58-65H,50-57,114H2,1-17H3,(H,123,130)(H,124,131)(H,125,132)(H,126,133)(H,127,134)(H,128,135)(H,129,136)
InChIKeyDIAXJDMGFDMGGP-UHFFFAOYSA-N
MW1970.27 g/mol
LogP22.49
Rot. Bonds39

About methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate

methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate (PubChem CID 177484902) has the molecular formula C113H116N16O17 and a molecular weight of 1970.27 g/mol. Its IUPAC name is methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
PubChem CID177484902
Molecular FormulaC113H116N16O17
Molecular Weight1970.27 g/mol
Exact Mass1968.87
IUPAC Namemethyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
SMILESCOC(=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(OCC(C)C)c%10cccc(NC(=O)c%11cc(OCC(C)C)c%12cccc(NC(=O)c%13cc(OCC(C)C)c%14cccc(NC(=O)c%15cc(OCC(C)C)c%16cccc(N)c%16n%15)c%14n%13)c%12n%11)c%10n9)c8n7)c6n5)c4n3)c2n1
InChIInChI=1S/C113H116N16O17/c1-58(2)50-139-90-42-82(115-98-66(90)26-18-34-74(98)114)106(130)123-75-35-19-27-67-91(140-51-59(3)4)43-83(116-99(67)75)107(131)124-76-36-20-28-68-92(141-52-60(5)6)44-84(117-100(68)76)108(132)125-77-37-21-29-69-93(142-53-61(7)8)45-85(118-101(69)77)109(133)126-78-38-22-30-70-94(143-54-62(9)10)46-86(119-102(70)78)110(134)127-79-39-23-31-71-95(144-55-63(11)12)47-87(120-103(71)79)111(135)128-80-40-24-32-72-96(145-56-64(13)14)48-88(121-104(72)80)112(136)129-81-41-25-33-73-97(146-57-65(15)16)49-89(113(137)138-17)122-105(73)81/h18-49,58-65H,50-57,114H2,1-17H3,(H,123,130)(H,124,131)(H,125,132)(H,126,133)(H,127,134)(H,128,135)(H,129,136)
InChIKeyDIAXJDMGFDMGGP-UHFFFAOYSA-N
XLogP22.49
TPSA432.98 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001970.27
LogP ≤ 522.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-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

Related Compounds

methyl 5-bromo-8-[[5-bromo-4-(2-methylpropoxy)-8-[[4-(2-methylpropoxy)-8-[[4-(2-methylpropoxy)-8-nitroquinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
CID 139117351
N-benzyl-4-(2-methylpropoxy)-8-(phenylcarbamoylamino)quinoline-2-carboxamide
CID 71740133
8-benzamido-4-(2-methylpropoxy)-N-[(2,3,4,5,6-pentafluorophenyl)methyl]quinoline-2-carboxamide
CID 71740253
8-[[4-(2-methylpropoxy)-8-nitroquinoline-2-carbonyl]amino]-4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinoline-2-carboxylic acid
CID 11974350
methyl 4-[[4-[[4-[[4-[[9-[[4-[[4-[[4-[[4-methoxycarbonyl-2-(2-methylpropoxy)phenyl]carbamoyl]-2-(2-methylpropoxy)phenyl]carbamoyl]-2-(2-methylpropoxy)phenyl]carbamoyl]-2-(2-methylpropoxy)phenyl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoate
CID 71746330
[8-benzamido-4-(2-methylpropoxy)quinolin-2-yl]methyl 2,3,4,5-tetrafluoro-6-iodobenzoate
CID 122209435
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
CID 139782319
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 4-[[4-[[4-[[4-amino-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoate
CID 71747586
10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide
CID 139189280

Frequently Asked Questions

What is the IUPAC name of methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The IUPAC name of methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate (CID 177484902) is methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The canonical SMILES for methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate is 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(OCC(C)C)c%10cccc(NC(=O)c%11cc(OCC(C)C)c%12cccc(NC(=O)c%13cc(OCC(C)C)c%14cccc(NC(=O)c%15cc(OCC(C)C)c%16cccc(N)c%16n%15)c%14n%13)c%12n%11)c%10n9)c8n7)c6n5)c4n3)c2n1.
What is the InChIKey of methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The InChIKey is DIAXJDMGFDMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H116N16O17/c1-58(2)50-139-90-42-82(115-98-66(90)26-18-34-74(98)114)106(130)123-75-35-19-27-67-91(140-51-59(3)4)43-83(116-99(67)75)107(131)124-76-36-20-28-68-92(141-52-60(5)6)44-84(117-100(68)76)108(132)125-77-37-21-29-69-93(142-53-61(7)8)45-85(118-101(69)77)109(133)126-78-38-22-30-70-94(143-54-62(9)10)46-86(119-102(70)78)110(134)127-79-39-23-31-71-95(144-55-63(11)12)47-87(120-103(71)79)111(135)128-80-40-24-32-72-96(145-56-64(13)14)48-88(121-104(72)80)112(136)129-81-41-25-33-73-97(146-57-65(15)16)49-89(113(137)138-17)122-105(73)81/h18-49,58-65H,50-57,114H2,1-17H3,(H,123,130)(H,124,131)(H,125,132)(H,126,133)(H,127,134)(H,128,135)(H,129,136).
What are the key properties of methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate has a molecular weight of 1970.27 g/mol, XLogP of 22.49, 39 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-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-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate is sourced from PubChem (CID 177484902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).