8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline

C39H30Cl3N3O3 — CID 90889596

IUPAC8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline
SMILESCc1c(COc2ccc(Cl)c3cccnc23)c(C)c(COc2ccc(Cl)c3cccnc23)c(C)c1COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C39H30Cl3N3O3/c1-22-28(19-46-34-13-10-31(40)25-7-4-16-43-37(25)34)23(2)30(21-48-36-15-12-33(42)27-9-6-18-45-39(27)36)24(3)29(22)20-47-35-14-11-32(41)26-8-5-17-44-38(26)35/h4-18H,19-21H2,1-3H3
InChIKeySOLZSFKBHVRKTQ-UHFFFAOYSA-N
MW695.05 g/mol
LogP10.95
Rot. Bonds9

About 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline

8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline (PubChem CID 90889596) has the molecular formula C39H30Cl3N3O3 and a molecular weight of 695.05 g/mol. Its IUPAC name is 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline.

Molecular Properties

Compound Name8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline
PubChem CID90889596
Molecular FormulaC39H30Cl3N3O3
Molecular Weight695.05 g/mol
Exact Mass693.14
IUPAC Name8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline
SMILESCc1c(COc2ccc(Cl)c3cccnc23)c(C)c(COc2ccc(Cl)c3cccnc23)c(C)c1COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C39H30Cl3N3O3/c1-22-28(19-46-34-13-10-31(40)25-7-4-16-43-37(25)34)23(2)30(21-48-36-15-12-33(42)27-9-6-18-45-39(27)36)24(3)29(22)20-47-35-14-11-32(41)26-8-5-17-44-38(26)35/h4-18H,19-21H2,1-3H3
InChIKeySOLZSFKBHVRKTQ-UHFFFAOYSA-N
XLogP10.95
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.05
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline with MolForge

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Related Compounds

5-Chloro-8-phenoxyquinoline
CID 2767025
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
5-Chloro-8-[(2-nitrophenyl)methoxy]quinoline
CID 752750
6-chloro-3-phenethyl-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline
CID 326324
8-(Benzyloxy)-5-Chloroquinoline
CID 18968588
8-[2-(4-Chloro-2,5-dimethylphenoxy)ethoxy]quinoline
CID 2284632
5-Chloro-8-[4-(4-chloro-benzyl)-morpholin-2-ylmethoxy]-quinoline
CID 11750030
4-[[4-[4-(2-Chloro-3-methoxy-phenyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593770
6-Chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 580795
3-Benzyl-6-chloro-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline
CID 326322
2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.0
CID 2353937
8-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]quinoline
CID 2282895

Frequently Asked Questions

What is the IUPAC name of 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline?
The IUPAC name of 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline (CID 90889596) is 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline.
What is the SMILES notation for 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline?
The canonical SMILES for 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline is Cc1c(COc2ccc(Cl)c3cccnc23)c(C)c(COc2ccc(Cl)c3cccnc23)c(C)c1COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline?
The InChIKey is SOLZSFKBHVRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30Cl3N3O3/c1-22-28(19-46-34-13-10-31(40)25-7-4-16-43-37(25)34)23(2)30(21-48-36-15-12-33(42)27-9-6-18-45-39(27)36)24(3)29(22)20-47-35-14-11-32(41)26-8-5-17-44-38(26)35/h4-18H,19-21H2,1-3H3.
What are the key properties of 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline?
8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline has a molecular weight of 695.05 g/mol, XLogP of 10.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3,5-bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline is sourced from PubChem (CID 90889596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).