3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide

C18H14FN3O3 — CID 59696515

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H14FN3O3/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(20)24)7-14(18(21)25)16(23)15(12)22-8-10/h1-4,6-8,23H,5H2,(H2,20,24)(H2,21,25)
InChIKeyIRVDHXJBQNZQLG-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.87
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide

3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide (PubChem CID 59696515) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
PubChem CID59696515
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H14FN3O3/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(20)24)7-14(18(21)25)16(23)15(12)22-8-10/h1-4,6-8,23H,5H2,(H2,20,24)(H2,21,25)
InChIKeyIRVDHXJBQNZQLG-UHFFFAOYSA-N
XLogP1.87
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide
CID 88870180
5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
CID 89187490
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
3-[(4-fluorophenyl)methyl]-8-hydroxy-7-(2-methoxyethoxycarbonyl)quinoline-5-carboxylic acid
CID 68820294
ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 58762890
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]quinoline-7-carboxylate
CID 59696459
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-hydroxypropylcarbamoyl)quinoline-7-carboxylate
CID 59696263
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[methyl(methylcarbamoyl)amino]carbamoyl]quinoline-7-carboxylate
CID 68857767
methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 59696420

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide (CID 59696515) is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide is NC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide?
The InChIKey is IRVDHXJBQNZQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(20)24)7-14(18(21)25)16(23)15(12)22-8-10/h1-4,6-8,23H,5H2,(H2,20,24)(H2,21,25).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide?
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide has a molecular weight of 339.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide is sourced from PubChem (CID 59696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).