4-bromo-N-(2-quinolin-7-yloxyethyl)aniline

C17H15BrN2O — CID 107315214

IUPAC4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
SMILESBrc1ccc(NCCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C17H15BrN2O/c18-14-4-6-15(7-5-14)19-10-11-21-16-8-3-13-2-1-9-20-17(13)12-16/h1-9,12,19H,10-11H2
InChIKeyVXYOACBMYHIMAX-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.49
Rot. Bonds5

About 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline

4-bromo-N-(2-quinolin-7-yloxyethyl)aniline (PubChem CID 107315214) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
PubChem CID107315214
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
SMILESBrc1ccc(NCCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C17H15BrN2O/c18-14-4-6-15(7-5-14)19-10-11-21-16-8-3-13-2-1-9-20-17(13)12-16/h1-9,12,19H,10-11H2
InChIKeyVXYOACBMYHIMAX-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
CID 63515607
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
3-quinolin-7-yloxypropanal
CID 107314214
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline?
The IUPAC name of 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline (CID 107315214) is 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline?
The canonical SMILES for 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline is Brc1ccc(NCCOc2ccc3cccnc3c2)cc1.
What is the InChIKey of 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline?
The InChIKey is VXYOACBMYHIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-4-6-15(7-5-14)19-10-11-21-16-8-3-13-2-1-9-20-17(13)12-16/h1-9,12,19H,10-11H2.
What are the key properties of 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline?
4-bromo-N-(2-quinolin-7-yloxyethyl)aniline has a molecular weight of 343.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-quinolin-7-yloxyethyl)aniline is sourced from PubChem (CID 107315214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).