N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine

C23H27ClN2O3 — CID 16608746

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CN(CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC
InChIInChI=1S/C23H27ClN2O3/c1-5-26(14-16-7-10-21(29-6-2)22(11-16)28-4)15-18-12-17-8-9-19(27-3)13-20(17)25-23(18)24/h7-13H,5-6,14-15H2,1-4H3
InChIKeyQDTDMYHKMXOZSQ-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.33
Rot. Bonds9

About N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine (PubChem CID 16608746) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
PubChem CID16608746
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CN(CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC
InChIInChI=1S/C23H27ClN2O3/c1-5-26(14-16-7-10-21(29-6-2)22(11-16)28-4)15-18-12-17-8-9-19(27-3)13-20(17)25-23(18)24/h7-13H,5-6,14-15H2,1-4H3
InChIKeyQDTDMYHKMXOZSQ-UHFFFAOYSA-N
XLogP5.33
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 16567666
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
3-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-4-fluorobenzonitrile
CID 18154612
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
CID 16638258
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
2-chloro-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-methoxyquinoline
CID 26201479

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine (CID 16608746) is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine is CCOc1ccc(CN(CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is QDTDMYHKMXOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-5-26(14-16-7-10-21(29-6-2)22(11-16)28-4)15-18-12-17-8-9-19(27-3)13-20(17)25-23(18)24/h7-13H,5-6,14-15H2,1-4H3.
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 414.93 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 16608746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).