2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol

C52H56N4O4 — CID 139090509

IUPAC2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol
SMILESCC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1.CC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1
InChIInChI=1S/2C26H28N2O2/c2*1-25(2,3)19-13-9-15-7-11-17(29)21(23(15)27-19)22-18(30)12-8-16-10-14-20(26(4,5)6)28-24(16)22/h2*7-14,29-30H,1-6H3
InChIKeyDLWVEWCIWHPHIB-UHFFFAOYSA-N
MW801.04 g/mol
LogP12.91
Rot. Bonds2

About 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol

2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol (PubChem CID 139090509) has the molecular formula C52H56N4O4 and a molecular weight of 801.04 g/mol. Its IUPAC name is 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol.

Molecular Properties

Compound Name2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol
PubChem CID139090509
Molecular FormulaC52H56N4O4
Molecular Weight801.04 g/mol
Exact Mass800.43
IUPAC Name2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol
SMILESCC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1.CC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1
InChIInChI=1S/2C26H28N2O2/c2*1-25(2,3)19-13-9-15-7-11-17(29)21(23(15)27-19)22-18(30)12-8-16-10-14-20(26(4,5)6)28-24(16)22/h2*7-14,29-30H,1-6H3
InChIKeyDLWVEWCIWHPHIB-UHFFFAOYSA-N
XLogP12.91
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.04
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol?
The IUPAC name of 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol (CID 139090509) is 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol.
What is the SMILES notation for 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol?
The canonical SMILES for 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol is CC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1.CC(C)(C)c1ccc2ccc(O)c(-c3c(O)ccc4ccc(C(C)(C)C)nc34)c2n1.
What is the InChIKey of 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol?
The InChIKey is DLWVEWCIWHPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N2O2/c2*1-25(2,3)19-13-9-15-7-11-17(29)21(23(15)27-19)22-18(30)12-8-16-10-14-20(26(4,5)6)28-24(16)22/h2*7-14,29-30H,1-6H3.
What are the key properties of 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol?
2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol has a molecular weight of 801.04 g/mol, XLogP of 12.91, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-(2-tert-butyl-7-hydroxyquinolin-8-yl)quinolin-7-ol is sourced from PubChem (CID 139090509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).