8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline

C54H45N3O6 — CID 11285895

IUPAC8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
SMILESCOc1cc2c(cc1OCc1cccc3cccnc13)Cc1cc(OC)c(OCc3cccc4cccnc34)cc1Cc1cc(OC)c(OCc3cccc4cccnc34)cc1C2
InChIInChI=1S/C54H45N3O6/c1-58-46-25-40-22-44-29-50(62-32-38-14-5-11-35-17-8-20-56-53(35)38)48(60-3)27-42(44)24-45-30-51(63-33-39-15-6-12-36-18-9-21-57-54(36)39)47(59-2)26-41(45)23-43(40)28-49(46)61-31-37-13-4-10-34-16-7-19-55-52(34)37/h4-21,25-30H,22-24,31-33H2,1-3H3
InChIKeyCMNOXTDJIQKEML-UHFFFAOYSA-N
MW831.97 g/mol
LogP11.18
Rot. Bonds12

About 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline

8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline (PubChem CID 11285895) has the molecular formula C54H45N3O6 and a molecular weight of 831.97 g/mol. Its IUPAC name is 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline.

Molecular Properties

Compound Name8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
PubChem CID11285895
Molecular FormulaC54H45N3O6
Molecular Weight831.97 g/mol
Exact Mass831.33
IUPAC Name8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
SMILESCOc1cc2c(cc1OCc1cccc3cccnc13)Cc1cc(OC)c(OCc3cccc4cccnc34)cc1Cc1cc(OC)c(OCc3cccc4cccnc34)cc1C2
InChIInChI=1S/C54H45N3O6/c1-58-46-25-40-22-44-29-50(62-32-38-14-5-11-35-17-8-20-56-53(35)38)48(60-3)27-42(44)24-45-30-51(63-33-39-15-6-12-36-18-9-21-57-54(36)39)47(59-2)26-41(45)23-43(40)28-49(46)61-31-37-13-4-10-34-16-7-19-55-52(34)37/h4-21,25-30H,22-24,31-33H2,1-3H3
InChIKeyCMNOXTDJIQKEML-UHFFFAOYSA-N
XLogP11.18
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.97
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline with MolForge

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Related Compounds

8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577350
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396

Frequently Asked Questions

What is the IUPAC name of 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline?
The IUPAC name of 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline (CID 11285895) is 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline.
What is the SMILES notation for 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline?
The canonical SMILES for 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline is COc1cc2c(cc1OCc1cccc3cccnc13)Cc1cc(OC)c(OCc3cccc4cccnc34)cc1Cc1cc(OC)c(OCc3cccc4cccnc34)cc1C2.
What is the InChIKey of 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline?
The InChIKey is CMNOXTDJIQKEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N3O6/c1-58-46-25-40-22-44-29-50(62-32-38-14-5-11-35-17-8-20-56-53(35)38)48(60-3)27-42(44)24-45-30-51(63-33-39-15-6-12-36-18-9-21-57-54(36)39)47(59-2)26-41(45)23-43(40)28-49(46)61-31-37-13-4-10-34-16-7-19-55-52(34)37/h4-21,25-30H,22-24,31-33H2,1-3H3.
What are the key properties of 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline?
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline has a molecular weight of 831.97 g/mol, XLogP of 11.18, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline is sourced from PubChem (CID 11285895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).