8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid

C18H20ClFN2O3 — CID 152659762

IUPAC8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC(C)C3)c(Cl)c21
InChIInChI=1S/C18H20ClFN2O3/c1-3-21-9-12(18(24)25)17(23)11-7-13(20)16(14(19)15(11)21)22-6-4-5-10(2)8-22/h7,9-10H,3-6,8H2,1-2H3,(H,24,25)
InChIKeyZJHNLQLEEPKVTF-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.75
Rot. Bonds3

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

8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 152659762) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID152659762
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC(C)C3)c(Cl)c21
InChIInChI=1S/C18H20ClFN2O3/c1-3-21-9-12(18(24)25)17(23)11-7-13(20)16(14(19)15(11)21)22-6-4-5-10(2)8-22/h7,9-10H,3-6,8H2,1-2H3,(H,24,25)
InChIKeyZJHNLQLEEPKVTF-UHFFFAOYSA-N
XLogP3.75
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-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

1-ethyl-6-fluoro-7-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69019500
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3948
7-(4-acetyl-3-methylpiperazin-1-yl)-6,8-dichloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 14651864
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15595862
7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10429791
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
1-ethyl-6,8-difluoro-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14839399
8-chloro-1-cyclopropyl-7-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 169094322
(2S)-2-aminobutanedioic acid;1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 46911850
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14328924
1-ethyl-7-[3-(ethylamino)-2-methylazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139676838

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid (CID 152659762) is 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC(C)C3)c(Cl)c21.
What is the InChIKey of 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZJHNLQLEEPKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3/c1-3-21-9-12(18(24)25)17(23)11-7-13(20)16(14(19)15(11)21)22-6-4-5-10(2)8-22/h7,9-10H,3-6,8H2,1-2H3,(H,24,25).
What are the key properties of 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 366.82 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-6-fluoro-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 152659762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).