7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol

C23H19FN2O — CID 19233140

IUPAC7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccc3)c3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C23H19FN2O/c1-15-7-8-17-11-14-20(23(27)22(17)25-15)21(16-9-12-18(24)13-10-16)26-19-5-3-2-4-6-19/h2-14,21,26-27H,1H3
InChIKeyOBALTRWDPWOXCQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.59
Rot. Bonds4

About 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol

7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol (PubChem CID 19233140) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
PubChem CID19233140
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccc3)c3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C23H19FN2O/c1-15-7-8-17-11-14-20(23(27)22(17)25-15)21(16-9-12-18(24)13-10-16)26-19-5-3-2-4-6-19/h2-14,21,26-27H,1H3
InChIKeyOBALTRWDPWOXCQ-UHFFFAOYSA-N
XLogP5.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol (CID 19233140) is 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3ccccc3)c3ccc(F)cc3)c(O)c2n1.
What is the InChIKey of 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol?
The InChIKey is OBALTRWDPWOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-15-7-8-17-11-14-20(23(27)22(17)25-15)21(16-9-12-18(24)13-10-16)26-19-5-3-2-4-6-19/h2-14,21,26-27H,1H3.
What are the key properties of 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol?
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol has a molecular weight of 358.42 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19233140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).