7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

C11H11ClFNO2 — CID 171787941

IUPAC7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1CCCc2c1cc(Cl)c(F)c2C(=O)O
InChIInChI=1S/C11H11ClFNO2/c1-14-4-2-3-6-8(14)5-7(12)10(13)9(6)11(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyKKUNIJUVNWAHPC-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.56
Rot. Bonds1

About 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 171787941) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID171787941
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1CCCc2c1cc(Cl)c(F)c2C(=O)O
InChIInChI=1S/C11H11ClFNO2/c1-14-4-2-3-6-8(14)5-7(12)10(13)9(6)11(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyKKUNIJUVNWAHPC-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 171787941) is 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is CN1CCCc2c1cc(Cl)c(F)c2C(=O)O.
What is the InChIKey of 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is KKUNIJUVNWAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c1-14-4-2-3-6-8(14)5-7(12)10(13)9(6)11(15)16/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 243.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 171787941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).