6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid

C16H17FN2O2 — CID 164532604

IUPAC6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCCC[C@@H](F)C3)cc12
InChIInChI=1S/C16H17FN2O2/c17-11-3-1-2-8-19(10-11)12-4-5-15-14(9-12)13(16(20)21)6-7-18-15/h4-7,9,11H,1-3,8,10H2,(H,20,21)/t11-/m1/s1
InChIKeyJHDZIZZUCVXCIM-LLVKDONJSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds2

About 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid

6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid (PubChem CID 164532604) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
PubChem CID164532604
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCCC[C@@H](F)C3)cc12
InChIInChI=1S/C16H17FN2O2/c17-11-3-1-2-8-19(10-11)12-4-5-15-14(9-12)13(16(20)21)6-7-18-15/h4-7,9,11H,1-3,8,10H2,(H,20,21)/t11-/m1/s1
InChIKeyJHDZIZZUCVXCIM-LLVKDONJSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
CID 164533157
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
CID 164532574
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
CID 175744986
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073
6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
CID 167118395
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
4-prop-1-en-2-yl-6-pyrrolidin-1-ylquinoline
CID 167118363
O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine
CID 166834627
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid (CID 164532604) is 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CCCC[C@@H](F)C3)cc12.
What is the InChIKey of 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid?
The InChIKey is JHDZIZZUCVXCIM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-11-3-1-2-8-19(10-11)12-4-5-15-14(9-12)13(16(20)21)6-7-18-15/h4-7,9,11H,1-3,8,10H2,(H,20,21)/t11-/m1/s1.
What are the key properties of 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid?
6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 164532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).