3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid

C19H14FNO5 — CID 10021070

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H14FNO5/c1-26-19(25)15-8-14(18(23)24)13-7-11(9-21-16(13)17(15)22)6-10-2-4-12(20)5-3-10/h2-5,7-9,22H,6H2,1H3,(H,23,24)
InChIKeyKLPDVDQBLIFIEX-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.16
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid (PubChem CID 10021070) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid
PubChem CID10021070
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H14FNO5/c1-26-19(25)15-8-14(18(23)24)13-7-11(9-21-16(13)17(15)22)6-10-2-4-12(20)5-3-10/h2-5,7-9,22H,6H2,1H3,(H,23,24)
InChIKeyKLPDVDQBLIFIEX-UHFFFAOYSA-N
XLogP3.16
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid (CID 10021070) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid is COC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid?
The InChIKey is KLPDVDQBLIFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-26-19(25)15-8-14(18(23)24)13-7-11(9-21-16(13)17(15)22)6-10-2-4-12(20)5-3-10/h2-5,7-9,22H,6H2,1H3,(H,23,24).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-methoxycarbonylquinoline-5-carboxylic acid is sourced from PubChem (CID 10021070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).