2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane

C19H21ClN2O3 — CID 142885243

IUPAC2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
SMILESCC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC
InChIInChI=1S/C17H15ClN2O3.C2H6/c1-21-16-8-11-14(9-17(16)22-2)20-6-5-15(11)23-10-3-4-13(19)12(18)7-10;1-2/h3-9H,19H2,1-2H3;1-2H3
InChIKeyCSUFIOSCEANTSQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.31
Rot. Bonds4

About 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane

2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane (PubChem CID 142885243) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane.

Molecular Properties

Compound Name2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
PubChem CID142885243
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
SMILESCC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC
InChIInChI=1S/C17H15ClN2O3.C2H6/c1-21-16-8-11-14(9-17(16)22-2)20-6-5-15(11)23-10-3-4-13(19)12(18)7-10;1-2/h3-9H,19H2,1-2H3;1-2H3
InChIKeyCSUFIOSCEANTSQ-UHFFFAOYSA-N
XLogP5.31
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
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
[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
CID 89377978
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane?
The IUPAC name of 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane (CID 142885243) is 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane.
What is the SMILES notation for 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane?
The canonical SMILES for 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane is CC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC.
What is the InChIKey of 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane?
The InChIKey is CSUFIOSCEANTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3.C2H6/c1-21-16-8-11-14(9-17(16)22-2)20-6-5-15(11)23-10-3-4-13(19)12(18)7-10;1-2/h3-9H,19H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane?
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane has a molecular weight of 360.84 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane is sourced from PubChem (CID 142885243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).