3-chloro-2-isoquinolin-1-yloxyaniline

C15H11ClN2O — CID 107718011

IUPAC3-chloro-2-isoquinolin-1-yloxyaniline
SMILESNc1cccc(Cl)c1Oc1nccc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2
InChIKeyZHQAAOVALOGCAV-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.26
Rot. Bonds2

About 3-chloro-2-isoquinolin-1-yloxyaniline

3-chloro-2-isoquinolin-1-yloxyaniline (PubChem CID 107718011) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-2-isoquinolin-1-yloxyaniline.

Molecular Properties

Compound Name3-chloro-2-isoquinolin-1-yloxyaniline
PubChem CID107718011
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-chloro-2-isoquinolin-1-yloxyaniline
SMILESNc1cccc(Cl)c1Oc1nccc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2
InChIKeyZHQAAOVALOGCAV-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.26
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-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
1-[(3-chloro-2-pyridinyl)oxy]isoquinoline
CID 123551407
3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 107718013
3-chloro-2-(quinolin-4-ylmethoxy)aniline
CID 107716069
2-(5-bromoisoquinolin-1-yl)oxy-3-methylaniline
CID 106540174
1-(6-chloropyrimidin-4-yl)oxyisoquinoline
CID 87890292
3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 107717892
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
1-(4-methylphenoxy)isoquinoline
CID 118474551
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
CID 55228286
dichloromethane;naphthalen-1-amine
CID 174958204
3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 107717898

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-isoquinolin-1-yloxyaniline?
The IUPAC name of 3-chloro-2-isoquinolin-1-yloxyaniline (CID 107718011) is 3-chloro-2-isoquinolin-1-yloxyaniline.
What is the SMILES notation for 3-chloro-2-isoquinolin-1-yloxyaniline?
The canonical SMILES for 3-chloro-2-isoquinolin-1-yloxyaniline is Nc1cccc(Cl)c1Oc1nccc2ccccc12.
What is the InChIKey of 3-chloro-2-isoquinolin-1-yloxyaniline?
The InChIKey is ZHQAAOVALOGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2.
What are the key properties of 3-chloro-2-isoquinolin-1-yloxyaniline?
3-chloro-2-isoquinolin-1-yloxyaniline has a molecular weight of 270.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-isoquinolin-1-yloxyaniline is sourced from PubChem (CID 107718011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).