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

C24H21FN2O2 — CID 19232821

IUPAC7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCOc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H21FN2O2/c1-2-29-20-12-10-19(11-13-20)27-22(17-5-8-18(25)9-6-17)21-14-7-16-4-3-15-26-23(16)24(21)28/h3-15,22,27-28H,2H2,1H3
InChIKeyFBOANQAMLKMPGW-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.68
Rot. Bonds6

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

7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol (PubChem CID 19232821) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
PubChem CID19232821
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
SMILESCCOc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H21FN2O2/c1-2-29-20-12-10-19(11-13-20)27-22(17-5-8-18(25)9-6-17)21-14-7-16-4-3-15-26-23(16)24(21)28/h3-15,22,27-28H,2H2,1H3
InChIKeyFBOANQAMLKMPGW-UHFFFAOYSA-N
XLogP5.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
ethyl 4-[[(8-hydroxyquinolin-7-yl)-(4-nitrophenyl)methyl]amino]benzoate
CID 67126854
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol (CID 19232821) is 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol is CCOc1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
The InChIKey is FBOANQAMLKMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-2-29-20-12-10-19(11-13-20)27-22(17-5-8-18(25)9-6-17)21-14-7-16-4-3-15-26-23(16)24(21)28/h3-15,22,27-28H,2H2,1H3.
What are the key properties of 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol?
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol has a molecular weight of 388.44 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 19232821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).