6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid

C15H14BrFN2O3 — CID 118523363

IUPAC6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H14BrFN2O3/c16-11-4-9-13(5-12(11)17)18-6-10(15(21)22)14(9)19-7-1-2-8(20)3-7/h4-8,20H,1-3H2,(H,18,19)(H,21,22)/t7-,8+/m0/s1
InChIKeyXPDHCUKRZHVEJX-JGVFFNPUSA-N
MW369.19 g/mol
LogP3.16
Rot. Bonds3

About 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid

6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid (PubChem CID 118523363) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid
PubChem CID118523363
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC Name6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H14BrFN2O3/c16-11-4-9-13(5-12(11)17)18-6-10(15(21)22)14(9)19-7-1-2-8(20)3-7/h4-8,20H,1-3H2,(H,18,19)(H,21,22)/t7-,8+/m0/s1
InChIKeyXPDHCUKRZHVEJX-JGVFFNPUSA-N
XLogP3.16
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid (CID 118523363) is 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid is O=C(O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CC[C@@H](O)C1.
What is the InChIKey of 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid?
The InChIKey is XPDHCUKRZHVEJX-JGVFFNPUSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c16-11-4-9-13(5-12(11)17)18-6-10(15(21)22)14(9)19-7-1-2-8(20)3-7/h4-8,20H,1-3H2,(H,18,19)(H,21,22)/t7-,8+/m0/s1.
What are the key properties of 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid?
6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid has a molecular weight of 369.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 118523363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).