4-(quinolin-3-ylmethoxy)aniline

C16H14N2O — CID 19733697

IUPAC4-(quinolin-3-ylmethoxy)aniline
SMILESNc1ccc(OCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H14N2O/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11,17H2
InChIKeyGFDOGWSRYPXNCB-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.40
Rot. Bonds3

About 4-(quinolin-3-ylmethoxy)aniline

4-(quinolin-3-ylmethoxy)aniline (PubChem CID 19733697) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(quinolin-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4-(quinolin-3-ylmethoxy)aniline
PubChem CID19733697
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(quinolin-3-ylmethoxy)aniline
SMILESNc1ccc(OCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H14N2O/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11,17H2
InChIKeyGFDOGWSRYPXNCB-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
quinolin-3-ylmethyl acetate
CID 101032812
4-phenylmethoxyaniline
CID 159966727
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(2-phenoxyethyl)quinoline
CID 54129983
3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline
CID 175710410
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
4-(phenoxymethyl)aniline
CID 12712561
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-3-ylmethoxy)aniline?
The IUPAC name of 4-(quinolin-3-ylmethoxy)aniline (CID 19733697) is 4-(quinolin-3-ylmethoxy)aniline.
What is the SMILES notation for 4-(quinolin-3-ylmethoxy)aniline?
The canonical SMILES for 4-(quinolin-3-ylmethoxy)aniline is Nc1ccc(OCc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-(quinolin-3-ylmethoxy)aniline?
The InChIKey is GFDOGWSRYPXNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11,17H2.
What are the key properties of 4-(quinolin-3-ylmethoxy)aniline?
4-(quinolin-3-ylmethoxy)aniline has a molecular weight of 250.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-3-ylmethoxy)aniline is sourced from PubChem (CID 19733697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).