methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate

C19H16FNO3 — CID 23075548

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H16FNO3/c1-11-7-16(19(23)24-2)18(22)17-15(11)9-13(10-21-17)8-12-3-5-14(20)6-4-12/h3-7,9-10,22H,8H2,1-2H3
InChIKeyPSUHRYFJTNKIEY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.77
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate (PubChem CID 23075548) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate
PubChem CID23075548
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H16FNO3/c1-11-7-16(19(23)24-2)18(22)17-15(11)9-13(10-21-17)8-12-3-5-14(20)6-4-12/h3-7,9-10,22H,8H2,1-2H3
InChIKeyPSUHRYFJTNKIEY-UHFFFAOYSA-N
XLogP3.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate (CID 23075548) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate is COC(=O)c1cc(C)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate?
The InChIKey is PSUHRYFJTNKIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-11-7-16(19(23)24-2)18(22)17-15(11)9-13(10-21-17)8-12-3-5-14(20)6-4-12/h3-7,9-10,22H,8H2,1-2H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methylquinoline-7-carboxylate is sourced from PubChem (CID 23075548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).