2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

C43H30N2O2 — CID 57398657

IUPAC2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCOc1cccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C43H30N2O2/c1-46-34-18-12-17-32(27-34)42-43(41(31-15-6-3-7-16-31)36-20-9-11-22-39(36)45-42)47-33-25-23-30(24-26-33)40-28-37(29-13-4-2-5-14-29)35-19-8-10-21-38(35)44-40/h2-28H,1H3
InChIKeyOXHRIEHRWDXHFZ-UHFFFAOYSA-N
MW606.73 g/mol
LogP11.25
Rot. Bonds7

About 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 57398657) has the molecular formula C43H30N2O2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID57398657
Molecular FormulaC43H30N2O2
Molecular Weight606.73 g/mol
Exact Mass606.23
IUPAC Name2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCOc1cccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C43H30N2O2/c1-46-34-18-12-17-32(27-34)42-43(41(31-15-6-3-7-16-31)36-20-9-11-22-39(36)45-42)47-33-25-23-30(24-26-33)40-28-37(29-13-4-2-5-14-29)35-19-8-10-21-38(35)44-40/h2-28H,1H3
InChIKeyOXHRIEHRWDXHFZ-UHFFFAOYSA-N
XLogP11.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline with MolForge

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Related Compounds

Abt-080
CID 9850972
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
8-(Benzyloxy)-2-methylquinoline
CID 737473
CL-246738 free base
CID 133712
3-(Benzyloxy)-2-methylquinoline
CID 3841340
2,2-Bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 10506295
3,3-Bis[4-(quinolin-2-ylmethoxy)phenyl]butanoic acid
CID 10506952
2,2-Bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10554919
(2E)-2-[bis[4-(quinolin-2-ylmethoxy)phenyl]methoxyimino]acetic acid
CID 10603114
1,1-Bis(4-(2-quinolylmethoxy)phenyl)ethanol
CID 10625577
5,5-Bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
CID 10627461
Bis(4-(2-quinolylmethoxy)phenyl)methanol
CID 10767637

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 57398657) is 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is COc1cccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is OXHRIEHRWDXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O2/c1-46-34-18-12-17-32(27-34)42-43(41(31-15-6-3-7-16-31)36-20-9-11-22-39(36)45-42)47-33-25-23-30(24-26-33)40-28-37(29-13-4-2-5-14-29)35-19-8-10-21-38(35)44-40/h2-28H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 606.73 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 57398657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).