8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

C39H33N3O3 — CID 91288497

IUPAC8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESCc1c(COc2cccc3cccnc23)c(C)c(COc2cccc3cccnc23)c(C)c1COc1cccc2cccnc12
InChIInChI=1S/C39H33N3O3/c1-25-31(22-43-34-16-4-10-28-13-7-19-40-37(28)34)26(2)33(24-45-36-18-6-12-30-15-9-21-42-39(30)36)27(3)32(25)23-44-35-17-5-11-29-14-8-20-41-38(29)35/h4-21H,22-24H2,1-3H3
InChIKeyZABKKNHKCVWFCM-UHFFFAOYSA-N
MW591.71 g/mol
LogP8.99
Rot. Bonds9

About 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (PubChem CID 91288497) has the molecular formula C39H33N3O3 and a molecular weight of 591.71 g/mol. Its IUPAC name is 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
PubChem CID91288497
Molecular FormulaC39H33N3O3
Molecular Weight591.71 g/mol
Exact Mass591.25
IUPAC Name8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESCc1c(COc2cccc3cccnc23)c(C)c(COc2cccc3cccnc23)c(C)c1COc1cccc2cccnc12
InChIInChI=1S/C39H33N3O3/c1-25-31(22-43-34-16-4-10-28-13-7-19-40-37(28)34)26(2)33(24-45-36-18-6-12-30-15-9-21-42-39(30)36)27(3)32(25)23-44-35-17-5-11-29-14-8-20-41-38(29)35/h4-21H,22-24H2,1-3H3
InChIKeyZABKKNHKCVWFCM-UHFFFAOYSA-N
XLogP8.99
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline with MolForge

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Related Compounds

Indium In-111 Oxyquinoline
CID 119117
8-Ethoxyquinoline
CID 73781
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
6-{5-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646999
6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-phenylisoquinoline
CID 23647586
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(pyridin-4-yl)isoquinoline
CID 23647587
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
8-Quinolinol, 7,7'-[(4-methoxyphenyl)methylene]bis-
CID 361376

Frequently Asked Questions

What is the IUPAC name of 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The IUPAC name of 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (CID 91288497) is 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is Cc1c(COc2cccc3cccnc23)c(C)c(COc2cccc3cccnc23)c(C)c1COc1cccc2cccnc12.
What is the InChIKey of 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The InChIKey is ZABKKNHKCVWFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3O3/c1-25-31(22-43-34-16-4-10-28-13-7-19-40-37(28)34)26(2)33(24-45-36-18-6-12-30-15-9-21-42-39(30)36)27(3)32(25)23-44-35-17-5-11-29-14-8-20-41-38(29)35/h4-21H,22-24H2,1-3H3.
What are the key properties of 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline has a molecular weight of 591.71 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2,4,6-trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 91288497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).