4-chloro-5-methoxyquinolin-8-amine

C10H9ClN2O — CID 19592989

IUPAC4-chloro-5-methoxyquinolin-8-amine
SMILESCOc1ccc(N)c2nccc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-14-8-3-2-7(12)10-9(8)6(11)4-5-13-10/h2-5H,12H2,1H3
InChIKeyCZWNYUMVEMNHNV-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.48
Rot. Bonds1

About 4-chloro-5-methoxyquinolin-8-amine

4-chloro-5-methoxyquinolin-8-amine (PubChem CID 19592989) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-5-methoxyquinolin-8-amine.

Molecular Properties

Compound Name4-chloro-5-methoxyquinolin-8-amine
PubChem CID19592989
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-chloro-5-methoxyquinolin-8-amine
SMILESCOc1ccc(N)c2nccc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-14-8-3-2-7(12)10-9(8)6(11)4-5-13-10/h2-5H,12H2,1H3
InChIKeyCZWNYUMVEMNHNV-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxyquinolin-8-amine?
The IUPAC name of 4-chloro-5-methoxyquinolin-8-amine (CID 19592989) is 4-chloro-5-methoxyquinolin-8-amine.
What is the SMILES notation for 4-chloro-5-methoxyquinolin-8-amine?
The canonical SMILES for 4-chloro-5-methoxyquinolin-8-amine is COc1ccc(N)c2nccc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxyquinolin-8-amine?
The InChIKey is CZWNYUMVEMNHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-8-3-2-7(12)10-9(8)6(11)4-5-13-10/h2-5H,12H2,1H3.
What are the key properties of 4-chloro-5-methoxyquinolin-8-amine?
4-chloro-5-methoxyquinolin-8-amine has a molecular weight of 208.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxyquinolin-8-amine is sourced from PubChem (CID 19592989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).