4-(4-phenylmethoxyanilino)quinolin-6-ol

C22H18N2O2 — CID 155538631

IUPAC4-(4-phenylmethoxyanilino)quinolin-6-ol
SMILESOc1ccc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H18N2O2/c25-18-8-11-21-20(14-18)22(12-13-23-21)24-17-6-9-19(10-7-17)26-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,23,24)
InChIKeyKMBJZFPFFKGGEU-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.26
Rot. Bonds5

About 4-(4-phenylmethoxyanilino)quinolin-6-ol

4-(4-phenylmethoxyanilino)quinolin-6-ol (PubChem CID 155538631) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(4-phenylmethoxyanilino)quinolin-6-ol.

Molecular Properties

Compound Name4-(4-phenylmethoxyanilino)quinolin-6-ol
PubChem CID155538631
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-(4-phenylmethoxyanilino)quinolin-6-ol
SMILESOc1ccc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H18N2O2/c25-18-8-11-21-20(14-18)22(12-13-23-21)24-17-6-9-19(10-7-17)26-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,23,24)
InChIKeyKMBJZFPFFKGGEU-UHFFFAOYSA-N
XLogP5.26
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyanilino)quinolin-6-ol?
The IUPAC name of 4-(4-phenylmethoxyanilino)quinolin-6-ol (CID 155538631) is 4-(4-phenylmethoxyanilino)quinolin-6-ol.
What is the SMILES notation for 4-(4-phenylmethoxyanilino)quinolin-6-ol?
The canonical SMILES for 4-(4-phenylmethoxyanilino)quinolin-6-ol is Oc1ccc2nccc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 4-(4-phenylmethoxyanilino)quinolin-6-ol?
The InChIKey is KMBJZFPFFKGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-18-8-11-21-20(14-18)22(12-13-23-21)24-17-6-9-19(10-7-17)26-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,23,24).
What are the key properties of 4-(4-phenylmethoxyanilino)quinolin-6-ol?
4-(4-phenylmethoxyanilino)quinolin-6-ol has a molecular weight of 342.40 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyanilino)quinolin-6-ol is sourced from PubChem (CID 155538631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).