5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol

C29H26N2O2 — CID 164612241

IUPAC5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol
SMILESCC(C)c1ccc(COCc2cc(-c3ccnc4ccccc34)c(O)c3ncccc23)cc1
InChIInChI=1S/C29H26N2O2/c1-19(2)21-11-9-20(10-12-21)17-33-18-22-16-26(29(32)28-23(22)7-5-14-31-28)24-13-15-30-27-8-4-3-6-25(24)27/h3-16,19,32H,17-18H2,1-2H3
InChIKeyMRDLDJJABILUQY-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.00
Rot. Bonds6

About 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol

5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol (PubChem CID 164612241) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol
PubChem CID164612241
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol
SMILESCC(C)c1ccc(COCc2cc(-c3ccnc4ccccc34)c(O)c3ncccc23)cc1
InChIInChI=1S/C29H26N2O2/c1-19(2)21-11-9-20(10-12-21)17-33-18-22-16-26(29(32)28-23(22)7-5-14-31-28)24-13-15-30-27-8-4-3-6-25(24)27/h3-16,19,32H,17-18H2,1-2H3
InChIKeyMRDLDJJABILUQY-UHFFFAOYSA-N
XLogP7.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol?
The IUPAC name of 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol (CID 164612241) is 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol is CC(C)c1ccc(COCc2cc(-c3ccnc4ccccc34)c(O)c3ncccc23)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol?
The InChIKey is MRDLDJJABILUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-19(2)21-11-9-20(10-12-21)17-33-18-22-16-26(29(32)28-23(22)7-5-14-31-28)24-13-15-30-27-8-4-3-6-25(24)27/h3-16,19,32H,17-18H2,1-2H3.
What are the key properties of 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol?
5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol has a molecular weight of 434.54 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)methoxymethyl]-7-quinolin-4-ylquinolin-8-ol is sourced from PubChem (CID 164612241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).