7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol

C22H16ClFN2O — CID 19232843

IUPAC7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(Cl)cc2)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C22H16ClFN2O/c23-16-6-10-18(11-7-16)26-20(15-3-8-17(24)9-4-15)19-12-5-14-2-1-13-25-21(14)22(19)27/h1-13,20,26-27H
InChIKeyRSQFGEAOPGJYQJ-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.93
Rot. Bonds4

About 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol

7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol (PubChem CID 19232843) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
PubChem CID19232843
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(Cl)cc2)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C22H16ClFN2O/c23-16-6-10-18(11-7-16)26-20(15-3-8-17(24)9-4-15)19-12-5-14-2-1-13-25-21(14)22(19)27/h1-13,20,26-27H
InChIKeyRSQFGEAOPGJYQJ-UHFFFAOYSA-N
XLogP5.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.93
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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Related Compounds

7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
CID 67987497
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol (CID 19232843) is 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol is Oc1c(C(Nc2ccc(Cl)cc2)c2ccc(F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The InChIKey is RSQFGEAOPGJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c23-16-6-10-18(11-7-16)26-20(15-3-8-17(24)9-4-15)19-12-5-14-2-1-13-25-21(14)22(19)27/h1-13,20,26-27H.
What are the key properties of 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol has a molecular weight of 378.83 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 19232843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).