4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline

C18H17N3O5 — CID 142410654

IUPAC4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
SMILESCOCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-24-8-9-25-18-11-15-14(10-16(18)21(22)23)17(6-7-20-15)26-13-4-2-12(19)3-5-13/h2-7,10-11H,8-9,19H2,1H3
InChIKeyVUFDLFBZSAYQJM-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.54
Rot. Bonds7

About 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline

4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline (PubChem CID 142410654) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
PubChem CID142410654
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
SMILESCOCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-24-8-9-25-18-11-15-14(10-16(18)21(22)23)17(6-7-20-15)26-13-4-2-12(19)3-5-13/h2-7,10-11H,8-9,19H2,1H3
InChIKeyVUFDLFBZSAYQJM-UHFFFAOYSA-N
XLogP3.54
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;4-(6,7-dimethoxyquinolin-4-yl)oxy-N-[(2-nitrophenyl)methyl]cyclohexa-2,4-dien-1-imine
CID 161478949
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
2,4-difluoro-1-nitrobenzene;3-(2-methoxyethoxy)-4-nitroaniline
CID 158973677
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline?
The IUPAC name of 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline (CID 142410654) is 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline.
What is the SMILES notation for 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline?
The canonical SMILES for 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline is COCCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1[N+](=O)[O-].
What is the InChIKey of 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline?
The InChIKey is VUFDLFBZSAYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-24-8-9-25-18-11-15-14(10-16(18)21(22)23)17(6-7-20-15)26-13-4-2-12(19)3-5-13/h2-7,10-11H,8-9,19H2,1H3.
What are the key properties of 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline?
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline has a molecular weight of 355.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline is sourced from PubChem (CID 142410654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).