6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid

C21H18F2N2O3 — CID 21290567

IUPAC6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2c(F)c(N3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C21H18F2N2O3/c22-16-11-14-18(17(23)19(16)24-9-5-2-6-10-24)25(13-7-3-1-4-8-13)12-15(20(14)26)21(27)28/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,27,28)
InChIKeyMOFNSPNUBJRLNH-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.96
Rot. Bonds3

About 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid

6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 21290567) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID21290567
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2c(F)c(N3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C21H18F2N2O3/c22-16-11-14-18(17(23)19(16)24-9-5-2-6-10-24)25(13-7-3-1-4-8-13)12-15(20(14)26)21(27)28/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,27,28)
InChIKeyMOFNSPNUBJRLNH-UHFFFAOYSA-N
XLogP3.96
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-difluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 1208020
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
7-(5-chloro-1,3-dihydroisoindol-2-yl)-6,8-difluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 14795837
1-(4-acetyloxyphenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid
CID 70458152
[6,8-difluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinolin-3-yl] hydrogen carbonate
CID 70471737
1-[4-(azepan-1-ylmethyl)phenyl]-6-fluoro-8-methoxy-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 143120995
6-fluoro-7-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]-8-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 58967119
2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 139626025
1-[2-chloro-4-(trifluoromethyl)phenyl]-6,8-difluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 134088732
[1-(4-aminophenyl)-6,8-difluoro-7-morpholin-4-yl-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67757356
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
8-chloro-6-fluoro-4-oxo-1-[4-[(propan-2-ylamino)methyl]phenyl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid;cyclohexane
CID 69476927

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid (CID 21290567) is 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid is O=C(O)c1cn(-c2ccccc2)c2c(F)c(N3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is MOFNSPNUBJRLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c22-16-11-14-18(17(23)19(16)24-9-5-2-6-10-24)25(13-7-3-1-4-8-13)12-15(20(14)26)21(27)28/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,27,28).
What are the key properties of 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid?
6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 384.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 21290567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).