1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid

C18H16FNO4 — CID 71668941

IUPAC1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H16FNO4/c1-18(2)8-14-12(15(21)9-18)7-13(17(23)24)16(22)20(14)11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,23,24)
InChIKeyKOWQTSKZUIFSIT-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid

1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid (PubChem CID 71668941) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
PubChem CID71668941
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H16FNO4/c1-18(2)8-14-12(15(21)9-18)7-13(17(23)24)16(22)20(14)11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,23,24)
InChIKeyKOWQTSKZUIFSIT-UHFFFAOYSA-N
XLogP2.83
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid (CID 71668941) is 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid is CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is KOWQTSKZUIFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-18(2)8-14-12(15(21)9-18)7-13(17(23)24)16(22)20(14)11-5-3-10(19)4-6-11/h3-7H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid?
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 71668941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).