4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid

C10H10ClFN2O2 — CID 83672474

IUPAC4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid
SMILESNC1(C(=O)O)CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H10ClFN2O2/c11-7-4-5(12)3-6-8(7)14-2-1-10(6,13)9(15)16/h3-4,14H,1-2,13H2,(H,15,16)
InChIKeyPUDLZGUUHWSBBH-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.53
Rot. Bonds1

About 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid

4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 83672474) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID83672474
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid
SMILESNC1(C(=O)O)CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H10ClFN2O2/c11-7-4-5(12)3-6-8(7)14-2-1-10(6,13)9(15)16/h3-4,14H,1-2,13H2,(H,15,16)
InChIKeyPUDLZGUUHWSBBH-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-8-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic Acid
CID 9817567
8-Chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-acetic acid
CID 15232662
2-(8-Chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 15232663
8-Chloro-1,2,3,4-tetrahydro-2-trifluoromethylquinoline-6-acetic acid
CID 18959576
2-(8-Chloro-2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285337
2-(8-Chloro-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285347
2-(8-Chloro-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44284966
6-(Carboxymethyl)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 44284967
2-(8-chloro-2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)acetic acid
CID 44285150
2-[(2R)-8-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
CID 44285213
2-(8-Chloro-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285324
2-(8-Chloro-2-propyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285335

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid (CID 83672474) is 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid is NC1(C(=O)O)CCNc2c(Cl)cc(F)cc21.
What is the InChIKey of 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is PUDLZGUUHWSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-7-4-5(12)3-6-8(7)14-2-1-10(6,13)9(15)16/h3-4,14H,1-2,13H2,(H,15,16).
What are the key properties of 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid?
4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 83672474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).