6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid

C21H20FN3O4 — CID 19783731

IUPAC6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
SMILESCOc1ccc(-n2c(N3CCNCC3)c(C(=O)O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C21H20FN3O4/c1-29-15-5-3-14(4-6-15)25-17-7-2-13(22)12-16(17)19(26)18(21(27)28)20(25)24-10-8-23-9-11-24/h2-7,12,23H,8-11H2,1H3,(H,27,28)
InChIKeyFRHZOUPWLRXGMT-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.25
Rot. Bonds4

About 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid

6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid (PubChem CID 19783731) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
PubChem CID19783731
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
SMILESCOc1ccc(-n2c(N3CCNCC3)c(C(=O)O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C21H20FN3O4/c1-29-15-5-3-14(4-6-15)25-17-7-2-13(22)12-16(17)19(26)18(21(27)28)20(25)24-10-8-23-9-11-24/h2-7,12,23H,8-11H2,1H3,(H,27,28)
InChIKeyFRHZOUPWLRXGMT-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-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-fluoro-1-(4-methylphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783730
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
CID 66920511
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 52946960
[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]-(4-piperazin-1-ylphenyl)methanone
CID 170315811
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
1-(4-methoxyphenyl)-2-piperazin-1-ylindole
CID 67370732
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84632187
1-(2,5-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14421167

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid (CID 19783731) is 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid is COc1ccc(-n2c(N3CCNCC3)c(C(=O)O)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid?
The InChIKey is FRHZOUPWLRXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-29-15-5-3-14(4-6-15)25-17-7-2-13(22)12-16(17)19(26)18(21(27)28)20(25)24-10-8-23-9-11-24/h2-7,12,23H,8-11H2,1H3,(H,27,28).
What are the key properties of 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid?
6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid has a molecular weight of 397.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 19783731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).