6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid

C14H16FN3O2 — CID 130380939

IUPAC6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=CNc2cc(N3CCNCC3)c(F)cc2C1
InChIInChI=1S/C14H16FN3O2/c15-11-6-9-5-10(14(19)20)8-17-12(9)7-13(11)18-3-1-16-2-4-18/h6-8,16-17H,1-5H2,(H,19,20)
InChIKeyCKDUYOGMQXBFHZ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.17
Rot. Bonds2

About 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid

6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid (PubChem CID 130380939) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
PubChem CID130380939
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=CNc2cc(N3CCNCC3)c(F)cc2C1
InChIInChI=1S/C14H16FN3O2/c15-11-6-9-5-10(14(19)20)8-17-12(9)7-13(11)18-3-1-16-2-4-18/h6-8,16-17H,1-5H2,(H,19,20)
InChIKeyCKDUYOGMQXBFHZ-UHFFFAOYSA-N
XLogP1.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid (CID 130380939) is 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid is O=C(O)C1=CNc2cc(N3CCNCC3)c(F)cc2C1.
What is the InChIKey of 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is CKDUYOGMQXBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-11-6-9-5-10(14(19)20)8-17-12(9)7-13(11)18-3-1-16-2-4-18/h6-8,16-17H,1-5H2,(H,19,20).
What are the key properties of 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid?
6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 130380939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).