6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)

C77H71N7O10 — CID 162246206

IUPAC6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)
SMILESCC(COCCOc1cccc2cccnc12)OCCOc1cccc2cccnc12.COCCOc1ccc2ncccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C25H26N2O4.2C20H16N2O2.C12H13NO2/c1-19(29-16-17-31-23-11-3-7-21-9-5-13-27-25(21)23)18-28-14-15-30-22-10-2-6-20-8-4-12-26-24(20)22;2*1-5-15-7-3-11-21-19(15)17(9-1)23-13-14-24-18-10-2-6-16-8-4-12-22-20(16)18;1-14-7-8-15-11-4-5-12-10(9-11)3-2-6-13-12/h2-13,19H,14-18H2,1H3;2*1-12H,13-14H2;2-6,9H,7-8H2,1H3
InChIKeyZXJBTBUAKARYCQ-UHFFFAOYSA-N
MW1254.45 g/mol
LogP15.40
Rot. Bonds25

About 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)

6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) (PubChem CID 162246206) has the molecular formula C77H71N7O10 and a molecular weight of 1254.45 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline).

Molecular Properties

Compound Name6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)
PubChem CID162246206
Molecular FormulaC77H71N7O10
Molecular Weight1254.45 g/mol
Exact Mass1253.53
IUPAC Name6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)
SMILESCC(COCCOc1cccc2cccnc12)OCCOc1cccc2cccnc12.COCCOc1ccc2ncccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C25H26N2O4.2C20H16N2O2.C12H13NO2/c1-19(29-16-17-31-23-11-3-7-21-9-5-13-27-25(21)23)18-28-14-15-30-22-10-2-6-20-8-4-12-26-24(20)22;2*1-5-15-7-3-11-21-19(15)17(9-1)23-13-14-24-18-10-2-6-16-8-4-12-22-20(16)18;1-14-7-8-15-11-4-5-12-10(9-11)3-2-6-13-12/h2-13,19H,14-18H2,1H3;2*1-12H,13-14H2;2-6,9H,7-8H2,1H3
InChIKeyZXJBTBUAKARYCQ-UHFFFAOYSA-N
XLogP15.40
TPSA182.53 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.45
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) with MolForge

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Related Compounds

1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
1-quinolin-6-yloxypropan-2-amine
CID 86262441
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
6-tridecoxyquinoline
CID 174908858
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)?
The IUPAC name of 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) (CID 162246206) is 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline).
What is the SMILES notation for 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)?
The canonical SMILES for 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) is CC(COCCOc1cccc2cccnc12)OCCOc1cccc2cccnc12.COCCOc1ccc2ncccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1.c1cnc2c(OCCOc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)?
The InChIKey is ZXJBTBUAKARYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4.2C20H16N2O2.C12H13NO2/c1-19(29-16-17-31-23-11-3-7-21-9-5-13-27-25(21)23)18-28-14-15-30-22-10-2-6-20-8-4-12-26-24(20)22;2*1-5-15-7-3-11-21-19(15)17(9-1)23-13-14-24-18-10-2-6-16-8-4-12-22-20(16)18;1-14-7-8-15-11-4-5-12-10(9-11)3-2-6-13-12/h2-13,19H,14-18H2,1H3;2*1-12H,13-14H2;2-6,9H,7-8H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline)?
6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) has a molecular weight of 1254.45 g/mol, XLogP of 15.40, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)quinoline;8-[2-[1-(2-quinolin-8-yloxyethoxy)propan-2-yloxy]ethoxy]quinoline;bis(8-(2-quinolin-8-yloxyethoxy)quinoline) is sourced from PubChem (CID 162246206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).