N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline

C26H26N2O3 — CID 23022691

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline
SMILESCOc1cc2nccc(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H26N2O3/c1-17(2)18-5-7-19(8-6-18)28-20-9-11-21(12-10-20)31-24-13-14-27-23-16-26(30-4)25(29-3)15-22(23)24/h5-17,28H,1-4H3
InChIKeyZOZFANGNXJDGKY-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.91
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline (PubChem CID 23022691) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline
PubChem CID23022691
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline
SMILESCOc1cc2nccc(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H26N2O3/c1-17(2)18-5-7-19(8-6-18)28-20-9-11-21(12-10-20)31-24-13-14-27-23-16-26(30-4)25(29-3)15-22(23)24/h5-17,28H,1-4H3
InChIKeyZOZFANGNXJDGKY-UHFFFAOYSA-N
XLogP6.91
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline (CID 23022691) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline is COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline?
The InChIKey is ZOZFANGNXJDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17(2)18-5-7-19(8-6-18)28-20-9-11-21(12-10-20)31-24-13-14-27-23-16-26(30-4)25(29-3)15-22(23)24/h5-17,28H,1-4H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline has a molecular weight of 414.51 g/mol, XLogP of 6.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-propan-2-ylaniline is sourced from PubChem (CID 23022691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).