4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline

C18H18FN3O3 — CID 66669452

IUPAC4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline
SMILESCOc1cc2nc(CN)cc(Oc3ccc(N)cc3F)c2cc1OC
InChIInChI=1S/C18H18FN3O3/c1-23-17-7-12-14(8-18(17)24-2)22-11(9-20)6-16(12)25-15-4-3-10(21)5-13(15)19/h3-8H,9,20-21H2,1-2H3
InChIKeyOONZMAGVVJCGNP-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.22
Rot. Bonds5

About 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline

4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline (PubChem CID 66669452) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline
PubChem CID66669452
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline
SMILESCOc1cc2nc(CN)cc(Oc3ccc(N)cc3F)c2cc1OC
InChIInChI=1S/C18H18FN3O3/c1-23-17-7-12-14(8-18(17)24-2)22-11(9-20)6-16(12)25-15-4-3-10(21)5-13(15)19/h3-8H,9,20-21H2,1-2H3
InChIKeyOONZMAGVVJCGNP-UHFFFAOYSA-N
XLogP3.22
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
CID 90283838
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
CID 155779576
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline?
The IUPAC name of 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline (CID 66669452) is 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline is COc1cc2nc(CN)cc(Oc3ccc(N)cc3F)c2cc1OC.
What is the InChIKey of 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline?
The InChIKey is OONZMAGVVJCGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-23-17-7-12-14(8-18(17)24-2)22-11(9-20)6-16(12)25-15-4-3-10(21)5-13(15)19/h3-8H,9,20-21H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline?
4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline has a molecular weight of 343.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline is sourced from PubChem (CID 66669452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).