2-[(2-chloroquinolin-3-yl)methoxy]aniline

C16H13ClN2O — CID 61026521

IUPAC2-[(2-chloroquinolin-3-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H13ClN2O/c17-16-12(9-11-5-1-3-7-14(11)19-16)10-20-15-8-4-2-6-13(15)18/h1-9H,10,18H2
InChIKeyBMXZIVZOZHGTAZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About 2-[(2-chloroquinolin-3-yl)methoxy]aniline

2-[(2-chloroquinolin-3-yl)methoxy]aniline (PubChem CID 61026521) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methoxy]aniline
PubChem CID61026521
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[(2-chloroquinolin-3-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H13ClN2O/c17-16-12(9-11-5-1-3-7-14(11)19-16)10-20-15-8-4-2-6-13(15)18/h1-9H,10,18H2
InChIKeyBMXZIVZOZHGTAZ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-chloroquinolin-3-yl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
(2-chloroquinolin-3-yl)methyl methanesulfonate
CID 22388059
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
3-[(3-bromo-5-fluorophenoxy)methyl]-2-chloroquinoline
CID 81314347
(2-chloroquinolin-3-yl)methyl 2-(4-fluorophenoxy)acetate
CID 9458328
2-chloro-3-(1-phenylethoxymethyl)quinoline
CID 60921717
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
3-benzyl-2-chloroquinoline
CID 14001237
(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
CID 7594601
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methoxy]aniline?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methoxy]aniline (CID 61026521) is 2-[(2-chloroquinolin-3-yl)methoxy]aniline.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methoxy]aniline?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methoxy]aniline is Nc1ccccc1OCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methoxy]aniline?
The InChIKey is BMXZIVZOZHGTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-16-12(9-11-5-1-3-7-14(11)19-16)10-20-15-8-4-2-6-13(15)18/h1-9H,10,18H2.
What are the key properties of 2-[(2-chloroquinolin-3-yl)methoxy]aniline?
2-[(2-chloroquinolin-3-yl)methoxy]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 2-[(2-chloroquinolin-3-yl)methoxy]aniline is sourced from PubChem (CID 61026521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).