7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

C17H11ClFNO3 — CID 11573491

IUPAC7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2ccc(Cc3cccc(Cl)c3F)cn2c1=O
InChIInChI=1S/C17H11ClFNO3/c18-14-3-1-2-11(15(14)19)8-10-4-5-12-6-7-13(17(22)23)16(21)20(12)9-10/h1-7,9H,8H2,(H,22,23)
InChIKeyDFPOGWOBJVWJKJ-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.38
Rot. Bonds3

About 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 11573491) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID11573491
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC Name7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2ccc(Cc3cccc(Cl)c3F)cn2c1=O
InChIInChI=1S/C17H11ClFNO3/c18-14-3-1-2-11(15(14)19)8-10-4-5-12-6-7-13(17(22)23)16(21)20(12)9-10/h1-7,9H,8H2,(H,22,23)
InChIKeyDFPOGWOBJVWJKJ-UHFFFAOYSA-N
XLogP3.38
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-oxoquinolizine-3-carboxylic acid
CID 14600462
1-(4-chlorobenzyl)-4-oxo-4H-quinolizine-3-carboxylic acid
CID 45279720
1-[[4-(3-Chlorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53318903
1-[[4-(4-Chlorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53318986
1-(2-Chloro-6-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 1482984
7-[(3-Chloro-2-fluorophenyl)methyl]-1-(methanesulfonamidomethyl)-4-oxoquinolizine-3-carboxylic acid
CID 11495863
7-[(3-Chloro-2-fluorophenyl)methyl]-1-[[(2-ethoxyacetyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 11503243
7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-8-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 11525179
7-[(3-Chloro-2-fluorophenyl)methyl]-1-[[(2-methoxy-2-methylpropanoyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 11532715
7-[(3-Chloro-2-fluorophenyl)methyl]-1-[[(2-hydroxyacetyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 11538987
7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxoquinolizine-3-carboxylic acid
CID 11539270
7-[(3-Chloro-2-fluorophenyl)methyl]-1-cyano-4-oxoquinolizine-3-carboxylic acid
CID 11544936

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (CID 11573491) is 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1ccc2ccc(Cc3cccc(Cl)c3F)cn2c1=O.
What is the InChIKey of 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is DFPOGWOBJVWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c18-14-3-1-2-11(15(14)19)8-10-4-5-12-6-7-13(17(22)23)16(21)20(12)9-10/h1-7,9H,8H2,(H,22,23).
What are the key properties of 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 331.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 11573491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).