2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline

C37H32Cl2N2O2 — CID 102235406

IUPAC2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline
SMILESCc1cc(C)c2nc(Cl)cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Cl)nc6c(C)cc(C)cc56)cc4)cc3)c2c1
InChIInChI=1S/C37H32Cl2N2O2/c1-21-15-23(3)35-29(17-21)31(19-33(38)40-35)42-27-11-7-25(8-12-27)37(5,6)26-9-13-28(14-10-26)43-32-20-34(39)41-36-24(4)16-22(2)18-30(32)36/h7-20H,1-6H3
InChIKeyIIBUPPMHFCVTRX-UHFFFAOYSA-N
MW607.58 g/mol
LogP11.23
Rot. Bonds6

About 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline

2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline (PubChem CID 102235406) has the molecular formula C37H32Cl2N2O2 and a molecular weight of 607.58 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline.

Molecular Properties

Compound Name2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline
PubChem CID102235406
Molecular FormulaC37H32Cl2N2O2
Molecular Weight607.58 g/mol
Exact Mass606.18
IUPAC Name2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline
SMILESCc1cc(C)c2nc(Cl)cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Cl)nc6c(C)cc(C)cc56)cc4)cc3)c2c1
InChIInChI=1S/C37H32Cl2N2O2/c1-21-15-23(3)35-29(17-21)31(19-33(38)40-35)42-27-11-7-25(8-12-27)37(5,6)26-9-13-28(14-10-26)43-32-20-34(39)41-36-24(4)16-22(2)18-30(32)36/h7-20H,1-6H3
InChIKeyIIBUPPMHFCVTRX-UHFFFAOYSA-N
XLogP11.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.58
LogP ≤ 511.23
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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Related Compounds

2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
CID 102235402
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 17258128
2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
CID 82225259
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]propan-2-yl]-2-chlorophenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]aniline
CID 160545682
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
CID 82090358
4,6-dichloro-2-(4-methylphenoxy)pyrimidine
CID 10800977
3-[4-[2-[3-[2-[4-(5-amino-2-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]-4-methylaniline
CID 139685602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline?
The IUPAC name of 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline (CID 102235406) is 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline.
What is the SMILES notation for 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline?
The canonical SMILES for 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline is Cc1cc(C)c2nc(Cl)cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Cl)nc6c(C)cc(C)cc56)cc4)cc3)c2c1.
What is the InChIKey of 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline?
The InChIKey is IIBUPPMHFCVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32Cl2N2O2/c1-21-15-23(3)35-29(17-21)31(19-33(38)40-35)42-27-11-7-25(8-12-27)37(5,6)26-9-13-28(14-10-26)43-32-20-34(39)41-36-24(4)16-22(2)18-30(32)36/h7-20H,1-6H3.
What are the key properties of 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline?
2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline has a molecular weight of 607.58 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline is sourced from PubChem (CID 102235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).