3-bromo-5-(quinolin-8-ylmethoxy)aniline

C16H13BrN2O — CID 103588108

IUPAC3-bromo-5-(quinolin-8-ylmethoxy)aniline
SMILESNc1cc(Br)cc(OCc2cccc3cccnc23)c1
InChIInChI=1S/C16H13BrN2O/c17-13-7-14(18)9-15(8-13)20-10-12-4-1-3-11-5-2-6-19-16(11)12/h1-9H,10,18H2
InChIKeyKBWVHGFHHIHLQL-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.16
Rot. Bonds3

About 3-bromo-5-(quinolin-8-ylmethoxy)aniline

3-bromo-5-(quinolin-8-ylmethoxy)aniline (PubChem CID 103588108) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-bromo-5-(quinolin-8-ylmethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-(quinolin-8-ylmethoxy)aniline
PubChem CID103588108
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-bromo-5-(quinolin-8-ylmethoxy)aniline
SMILESNc1cc(Br)cc(OCc2cccc3cccnc23)c1
InChIInChI=1S/C16H13BrN2O/c17-13-7-14(18)9-15(8-13)20-10-12-4-1-3-11-5-2-6-19-16(11)12/h1-9H,10,18H2
InChIKeyKBWVHGFHHIHLQL-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
2-[(3-amino-5-bromophenoxy)methyl]benzamide
CID 103588227
3-bromo-5-(quinolin-2-ylmethoxy)aniline
CID 103588166
6-(quinolin-8-ylmethoxy)pyrimidine-2,4,5-triamine
CID 145039451
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
3-bromo-4-(quinolin-8-ylmethylsulfanyl)aniline
CID 82841915
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(quinolin-8-ylmethoxy)aniline?
The IUPAC name of 3-bromo-5-(quinolin-8-ylmethoxy)aniline (CID 103588108) is 3-bromo-5-(quinolin-8-ylmethoxy)aniline.
What is the SMILES notation for 3-bromo-5-(quinolin-8-ylmethoxy)aniline?
The canonical SMILES for 3-bromo-5-(quinolin-8-ylmethoxy)aniline is Nc1cc(Br)cc(OCc2cccc3cccnc23)c1.
What is the InChIKey of 3-bromo-5-(quinolin-8-ylmethoxy)aniline?
The InChIKey is KBWVHGFHHIHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-7-14(18)9-15(8-13)20-10-12-4-1-3-11-5-2-6-19-16(11)12/h1-9H,10,18H2.
What are the key properties of 3-bromo-5-(quinolin-8-ylmethoxy)aniline?
3-bromo-5-(quinolin-8-ylmethoxy)aniline has a molecular weight of 329.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(quinolin-8-ylmethoxy)aniline is sourced from PubChem (CID 103588108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).