N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline

C24H21ClN2O2 — CID 155513704

IUPACN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H21ClN2O2/c1-2-28-24-14-17(16-27-19-6-4-3-5-7-19)8-11-23(24)29-22-12-13-26-21-15-18(25)9-10-20(21)22/h3-15,27H,2,16H2,1H3
InChIKeySXOPMRNDJUEKGJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.69
Rot. Bonds7

About N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline

N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline (PubChem CID 155513704) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline
PubChem CID155513704
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H21ClN2O2/c1-2-28-24-14-17(16-27-19-6-4-3-5-7-19)8-11-23(24)29-22-12-13-26-21-15-18(25)9-10-20(21)22/h3-15,27H,2,16H2,1H3
InChIKeySXOPMRNDJUEKGJ-UHFFFAOYSA-N
XLogP6.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline?
The IUPAC name of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline (CID 155513704) is N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline.
What is the SMILES notation for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline?
The canonical SMILES for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline is CCOc1cc(CNc2ccccc2)ccc1Oc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline?
The InChIKey is SXOPMRNDJUEKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-2-28-24-14-17(16-27-19-6-4-3-5-7-19)8-11-23(24)29-22-12-13-26-21-15-18(25)9-10-20(21)22/h3-15,27H,2,16H2,1H3.
What are the key properties of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline?
N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline has a molecular weight of 404.90 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]aniline is sourced from PubChem (CID 155513704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).