methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate

C18H14FNO3 — CID 10244931

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H14FNO3/c1-23-18(22)15-7-4-13-9-12(10-20-16(13)17(15)21)8-11-2-5-14(19)6-3-11/h2-7,9-10,21H,8H2,1H3
InChIKeyYHZFLLVHTRLHDQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.46
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 10244931) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID10244931
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H14FNO3/c1-23-18(22)15-7-4-13-9-12(10-20-16(13)17(15)21)8-11-2-5-14(19)6-3-11/h2-7,9-10,21H,8H2,1H3
InChIKeyYHZFLLVHTRLHDQ-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.46
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-hydroxyquinoline-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (CID 10244931) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is COC(=O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is YHZFLLVHTRLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-23-18(22)15-7-4-13-9-12(10-20-16(13)17(15)21)8-11-2-5-14(19)6-3-11/h2-7,9-10,21H,8H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.46, 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-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 10244931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).