3-chloro-2-(quinolin-6-ylmethoxy)aniline

C16H13ClN2O — CID 107715957

IUPAC3-chloro-2-(quinolin-6-ylmethoxy)aniline
SMILESNc1cccc(Cl)c1OCc1ccc2ncccc2c1
InChIInChI=1S/C16H13ClN2O/c17-13-4-1-5-14(18)16(13)20-10-11-6-7-15-12(9-11)3-2-8-19-15/h1-9H,10,18H2
InChIKeyMVHOZDKSRJOABK-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-2-(quinolin-6-ylmethoxy)aniline

3-chloro-2-(quinolin-6-ylmethoxy)aniline (PubChem CID 107715957) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-chloro-2-(quinolin-6-ylmethoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(quinolin-6-ylmethoxy)aniline
PubChem CID107715957
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-chloro-2-(quinolin-6-ylmethoxy)aniline
SMILESNc1cccc(Cl)c1OCc1ccc2ncccc2c1
InChIInChI=1S/C16H13ClN2O/c17-13-4-1-5-14(18)16(13)20-10-11-6-7-15-12(9-11)3-2-8-19-15/h1-9H,10,18H2
InChIKeyMVHOZDKSRJOABK-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.05
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

3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
3-chloro-2-(quinolin-4-ylmethoxy)aniline
CID 107716069
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
6-(2-chloroethyl)quinoline
CID 53404433
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(quinolin-6-ylmethoxy)aniline?
The IUPAC name of 3-chloro-2-(quinolin-6-ylmethoxy)aniline (CID 107715957) is 3-chloro-2-(quinolin-6-ylmethoxy)aniline.
What is the SMILES notation for 3-chloro-2-(quinolin-6-ylmethoxy)aniline?
The canonical SMILES for 3-chloro-2-(quinolin-6-ylmethoxy)aniline is Nc1cccc(Cl)c1OCc1ccc2ncccc2c1.
What is the InChIKey of 3-chloro-2-(quinolin-6-ylmethoxy)aniline?
The InChIKey is MVHOZDKSRJOABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-4-1-5-14(18)16(13)20-10-11-6-7-15-12(9-11)3-2-8-19-15/h1-9H,10,18H2.
What are the key properties of 3-chloro-2-(quinolin-6-ylmethoxy)aniline?
3-chloro-2-(quinolin-6-ylmethoxy)aniline has a molecular weight of 284.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(quinolin-6-ylmethoxy)aniline is sourced from PubChem (CID 107715957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).