4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol

C23H20N2O2 — CID 135609775

IUPAC4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
SMILESCc1cc(Nc2ccc(OCc3ccccc3)cc2)nc2cc(O)ccc12
InChIInChI=1S/C23H20N2O2/c1-16-13-23(25-22-14-19(26)9-12-21(16)22)24-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h2-14,26H,15H2,1H3,(H,24,25)
InChIKeyUFEMDLAFOZMSRW-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.57
Rot. Bonds5

About 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol

4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol (PubChem CID 135609775) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol.

Molecular Properties

Compound Name4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
PubChem CID135609775
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
SMILESCc1cc(Nc2ccc(OCc3ccccc3)cc2)nc2cc(O)ccc12
InChIInChI=1S/C23H20N2O2/c1-16-13-23(25-22-14-19(26)9-12-21(16)22)24-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h2-14,26H,15H2,1H3,(H,24,25)
InChIKeyUFEMDLAFOZMSRW-UHFFFAOYSA-N
XLogP5.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol?
The IUPAC name of 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol (CID 135609775) is 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol.
What is the SMILES notation for 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol?
The canonical SMILES for 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol is Cc1cc(Nc2ccc(OCc3ccccc3)cc2)nc2cc(O)ccc12.
What is the InChIKey of 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol?
The InChIKey is UFEMDLAFOZMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-13-23(25-22-14-19(26)9-12-21(16)22)24-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h2-14,26H,15H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol?
4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol has a molecular weight of 356.43 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol is sourced from PubChem (CID 135609775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).