7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid

C17H18ClFN2O3 — CID 25124186

IUPAC7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCCC3)c(Cl)c21
InChIInChI=1S/C17H18ClFN2O3/c1-20-9-11(17(23)24)16(22)10-8-12(19)15(13(18)14(10)20)21-6-4-2-3-5-7-21/h8-9H,2-7H2,1H3,(H,23,24)
InChIKeySGGGGCHCLWYRHT-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.41
Rot. Bonds2

About 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid

7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 25124186) has the molecular formula C17H18ClFN2O3 and a molecular weight of 352.79 g/mol. Its IUPAC name is 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID25124186
Molecular FormulaC17H18ClFN2O3
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCCC3)c(Cl)c21
InChIInChI=1S/C17H18ClFN2O3/c1-20-9-11(17(23)24)16(22)10-8-12(19)15(13(18)14(10)20)21-6-4-2-3-5-7-21/h8-9H,2-7H2,1H3,(H,23,24)
InChIKeySGGGGCHCLWYRHT-UHFFFAOYSA-N
XLogP3.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-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

6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 21290567
6-fluoro-1-methyl-7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 54410705
6-fluoro-8-methoxy-1-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14071848
7-(azepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(2-fluorophenyl)methanamine
CID 145129266
8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 152659762
8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 169094323
7-[[(3S)-1-(3-carboxy-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)azepan-3-yl]amino]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 169435642
6,8-difluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 1208020
8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14896557
6-fluoro-1,8-dimethyl-7-[4-(2-methyliminopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 18337313
CID 87873503
CID 87873503
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841

Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 25124186) is 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCCC3)c(Cl)c21.
What is the InChIKey of 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SGGGGCHCLWYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3/c1-20-9-11(17(23)24)16(22)10-8-12(19)15(13(18)14(10)20)21-6-4-2-3-5-7-21/h8-9H,2-7H2,1H3,(H,23,24).
What are the key properties of 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 352.79 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 25124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).