N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline

C24H22N2O4 — CID 23022619

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline
SMILESCOc1ccc(Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-27-18-8-4-16(5-9-18)26-17-6-10-19(11-7-17)30-22-12-13-25-21-15-24(29-3)23(28-2)14-20(21)22/h4-15,26H,1-3H3
InChIKeyXYMSFXXPWXFMIO-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.80
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline (PubChem CID 23022619) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline
PubChem CID23022619
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline
SMILESCOc1ccc(Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-27-18-8-4-16(5-9-18)26-17-6-10-19(11-7-17)30-22-12-13-25-21-15-24(29-3)23(28-2)14-20(21)22/h4-15,26H,1-3H3
InChIKeyXYMSFXXPWXFMIO-UHFFFAOYSA-N
XLogP5.80
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline (CID 23022619) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline is COc1ccc(Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline?
The InChIKey is XYMSFXXPWXFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-27-18-8-4-16(5-9-18)26-17-6-10-19(11-7-17)30-22-12-13-25-21-15-24(29-3)23(28-2)14-20(21)22/h4-15,26H,1-3H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline has a molecular weight of 402.45 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methoxyaniline is sourced from PubChem (CID 23022619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).