2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline

C33H24Cl2N2O2 — CID 102235402

IUPAC2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
SMILESCC(C)(c1ccc(Oc2cc(Cl)nc3ccccc23)cc1)c1ccc(Oc2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C33H24Cl2N2O2/c1-33(2,21-11-15-23(16-12-21)38-29-19-31(34)36-27-9-5-3-7-25(27)29)22-13-17-24(18-14-22)39-30-20-32(35)37-28-10-6-4-8-26(28)30/h3-20H,1-2H3
InChIKeyMOOTYVCKVGLBLF-UHFFFAOYSA-N
MW551.47 g/mol
LogP10.00
Rot. Bonds6

About 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline

2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline (PubChem CID 102235402) has the molecular formula C33H24Cl2N2O2 and a molecular weight of 551.47 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline.

Molecular Properties

Compound Name2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
PubChem CID102235402
Molecular FormulaC33H24Cl2N2O2
Molecular Weight551.47 g/mol
Exact Mass550.12
IUPAC Name2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
SMILESCC(C)(c1ccc(Oc2cc(Cl)nc3ccccc23)cc1)c1ccc(Oc2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C33H24Cl2N2O2/c1-33(2,21-11-15-23(16-12-21)38-29-19-31(34)36-27-9-5-3-7-25(27)29)22-13-17-24(18-14-22)39-30-20-32(35)37-28-10-6-4-8-26(28)30/h3-20H,1-2H3
InChIKeyMOOTYVCKVGLBLF-UHFFFAOYSA-N
XLogP10.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.47
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline with MolForge

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Related Compounds

2-chloro-4-[4-[2-[4-(2-chloro-6,8-dimethylquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-6,8-dimethylquinoline
CID 102235406
2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline
CID 151928380
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
2-tert-butyl-9-chloroacridine
CID 620349
4,11-bis[4-(2-phenylpropan-2-yl)phenoxy]-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788407
2-[4-(2-methylquinolin-4-yl)oxyphenyl]ethanol
CID 107709613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline?
The IUPAC name of 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline (CID 102235402) is 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline.
What is the SMILES notation for 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline?
The canonical SMILES for 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline is CC(C)(c1ccc(Oc2cc(Cl)nc3ccccc23)cc1)c1ccc(Oc2cc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline?
The InChIKey is MOOTYVCKVGLBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Cl2N2O2/c1-33(2,21-11-15-23(16-12-21)38-29-19-31(34)36-27-9-5-3-7-25(27)29)22-13-17-24(18-14-22)39-30-20-32(35)37-28-10-6-4-8-26(28)30/h3-20H,1-2H3.
What are the key properties of 2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline?
2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline has a molecular weight of 551.47 g/mol, XLogP of 10.00, 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-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline is sourced from PubChem (CID 102235402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).