6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline

C33H22Br2Cl2N2O2 — CID 102235404

IUPAC6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline
SMILESCC(C)(c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1)c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C33H22Br2Cl2N2O2/c1-33(2,19-3-9-23(10-4-19)40-29-17-31(36)38-27-13-7-21(34)15-25(27)29)20-5-11-24(12-6-20)41-30-18-32(37)39-28-14-8-22(35)16-26(28)30/h3-18H,1-2H3
InChIKeyYNULBKBURRZGBF-UHFFFAOYSA-N
MW709.27 g/mol
LogP11.53
Rot. Bonds6

About 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline

6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline (PubChem CID 102235404) has the molecular formula C33H22Br2Cl2N2O2 and a molecular weight of 709.27 g/mol. Its IUPAC name is 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline.

Molecular Properties

Compound Name6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline
PubChem CID102235404
Molecular FormulaC33H22Br2Cl2N2O2
Molecular Weight709.27 g/mol
Exact Mass705.94
IUPAC Name6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline
SMILESCC(C)(c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1)c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1
InChIInChI=1S/C33H22Br2Cl2N2O2/c1-33(2,19-3-9-23(10-4-19)40-29-17-31(36)38-27-13-7-21(34)15-25(27)29)20-5-11-24(12-6-20)41-30-18-32(37)39-28-14-8-22(35)16-26(28)30/h3-18H,1-2H3
InChIKeyYNULBKBURRZGBF-UHFFFAOYSA-N
XLogP11.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.27
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline?
The IUPAC name of 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline (CID 102235404) is 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline.
What is the SMILES notation for 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline?
The canonical SMILES for 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline is CC(C)(c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1)c1ccc(Oc2cc(Cl)nc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline?
The InChIKey is YNULBKBURRZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22Br2Cl2N2O2/c1-33(2,19-3-9-23(10-4-19)40-29-17-31(36)38-27-13-7-21(34)15-25(27)29)20-5-11-24(12-6-20)41-30-18-32(37)39-28-14-8-22(35)16-26(28)30/h3-18H,1-2H3.
What are the key properties of 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline?
6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline has a molecular weight of 709.27 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-[2-[4-(6-bromo-2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-2-chloroquinoline is sourced from PubChem (CID 102235404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).