4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline

C20H21ClN2O3 — CID 89257165

IUPAC4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
SMILESCCCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC
InChIInChI=1S/C20H21ClN2O3/c1-3-4-9-25-20-12-17-14(11-19(20)24-2)18(7-8-23-17)26-13-5-6-16(22)15(21)10-13/h5-8,10-12H,3-4,9,22H2,1-2H3
InChIKeyRUZWSVGWHUVXGM-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.45
Rot. Bonds7

About 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline

4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline (PubChem CID 89257165) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline.

Molecular Properties

Compound Name4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
PubChem CID89257165
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
SMILESCCCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC
InChIInChI=1S/C20H21ClN2O3/c1-3-4-9-25-20-12-17-14(11-19(20)24-2)18(7-8-23-17)26-13-5-6-16(22)15(21)10-13/h5-8,10-12H,3-4,9,22H2,1-2H3
InChIKeyRUZWSVGWHUVXGM-UHFFFAOYSA-N
XLogP5.45
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
1-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 159385816
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[2-chloro-4-[7-[3-(3-ethoxypropoxy)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-propan-2-ylurea
CID 144685795
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]hexan-2-one
CID 157253214
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014

Frequently Asked Questions

What is the IUPAC name of 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline?
The IUPAC name of 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline (CID 89257165) is 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline.
What is the SMILES notation for 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline?
The canonical SMILES for 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline is CCCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC.
What is the InChIKey of 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline?
The InChIKey is RUZWSVGWHUVXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-4-9-25-20-12-17-14(11-19(20)24-2)18(7-8-23-17)26-13-5-6-16(22)15(21)10-13/h5-8,10-12H,3-4,9,22H2,1-2H3.
What are the key properties of 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline?
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline has a molecular weight of 372.85 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline is sourced from PubChem (CID 89257165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).