4-(2-quinolin-5-yloxyethoxy)aniline

C17H16N2O2 — CID 103044211

IUPAC4-(2-quinolin-5-yloxyethoxy)aniline
SMILESNc1ccc(OCCOc2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2O2/c18-13-6-8-14(9-7-13)20-11-12-21-17-5-1-4-16-15(17)3-2-10-19-16/h1-10H,11-12,18H2
InChIKeyITWTUWQDDHAQQV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds5

About 4-(2-quinolin-5-yloxyethoxy)aniline

4-(2-quinolin-5-yloxyethoxy)aniline (PubChem CID 103044211) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-quinolin-5-yloxyethoxy)aniline.

Molecular Properties

Compound Name4-(2-quinolin-5-yloxyethoxy)aniline
PubChem CID103044211
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(2-quinolin-5-yloxyethoxy)aniline
SMILESNc1ccc(OCCOc2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2O2/c18-13-6-8-14(9-7-13)20-11-12-21-17-5-1-4-16-15(17)3-2-10-19-16/h1-10H,11-12,18H2
InChIKeyITWTUWQDDHAQQV-UHFFFAOYSA-N
XLogP3.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-amino-1-(2-quinolin-5-yloxyethyl)pyridin-2-one
CID 103044201
5-(9-bromononoxy)quinoline
CID 103044601
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
2-quinolin-5-yloxyacetaldehyde
CID 103045247
3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001
2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-5-yloxyethoxy)aniline?
The IUPAC name of 4-(2-quinolin-5-yloxyethoxy)aniline (CID 103044211) is 4-(2-quinolin-5-yloxyethoxy)aniline.
What is the SMILES notation for 4-(2-quinolin-5-yloxyethoxy)aniline?
The canonical SMILES for 4-(2-quinolin-5-yloxyethoxy)aniline is Nc1ccc(OCCOc2cccc3ncccc23)cc1.
What is the InChIKey of 4-(2-quinolin-5-yloxyethoxy)aniline?
The InChIKey is ITWTUWQDDHAQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-13-6-8-14(9-7-13)20-11-12-21-17-5-1-4-16-15(17)3-2-10-19-16/h1-10H,11-12,18H2.
What are the key properties of 4-(2-quinolin-5-yloxyethoxy)aniline?
4-(2-quinolin-5-yloxyethoxy)aniline has a molecular weight of 280.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-5-yloxyethoxy)aniline is sourced from PubChem (CID 103044211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).