4-(3-chloroanilino)-7-methoxyquinolin-6-ol

C16H13ClN2O2 — CID 25000015

IUPAC4-(3-chloroanilino)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nccc(Nc3cccc(Cl)c3)c2cc1O
InChIInChI=1S/C16H13ClN2O2/c1-21-16-9-14-12(8-15(16)20)13(5-6-18-14)19-11-4-2-3-10(17)7-11/h2-9,20H,1H3,(H,18,19)
InChIKeyZUEIQVQPZSUQHO-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.35
Rot. Bonds3

About 4-(3-chloroanilino)-7-methoxyquinolin-6-ol

4-(3-chloroanilino)-7-methoxyquinolin-6-ol (PubChem CID 25000015) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(3-chloroanilino)-7-methoxyquinolin-6-ol.

Molecular Properties

Compound Name4-(3-chloroanilino)-7-methoxyquinolin-6-ol
PubChem CID25000015
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(3-chloroanilino)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nccc(Nc3cccc(Cl)c3)c2cc1O
InChIInChI=1S/C16H13ClN2O2/c1-21-16-9-14-12(8-15(16)20)13(5-6-18-14)19-11-4-2-3-10(17)7-11/h2-9,20H,1H3,(H,18,19)
InChIKeyZUEIQVQPZSUQHO-UHFFFAOYSA-N
XLogP4.35
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-7-methoxyquinolin-6-ol?
The IUPAC name of 4-(3-chloroanilino)-7-methoxyquinolin-6-ol (CID 25000015) is 4-(3-chloroanilino)-7-methoxyquinolin-6-ol.
What is the SMILES notation for 4-(3-chloroanilino)-7-methoxyquinolin-6-ol?
The canonical SMILES for 4-(3-chloroanilino)-7-methoxyquinolin-6-ol is COc1cc2nccc(Nc3cccc(Cl)c3)c2cc1O.
What is the InChIKey of 4-(3-chloroanilino)-7-methoxyquinolin-6-ol?
The InChIKey is ZUEIQVQPZSUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-16-9-14-12(8-15(16)20)13(5-6-18-14)19-11-4-2-3-10(17)7-11/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-(3-chloroanilino)-7-methoxyquinolin-6-ol?
4-(3-chloroanilino)-7-methoxyquinolin-6-ol has a molecular weight of 300.75 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-7-methoxyquinolin-6-ol is sourced from PubChem (CID 25000015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).