(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine

C15H17ClFN3 — CID 66776445

IUPAC(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1N1CC[C@H](F)C1
InChIInChI=1S/C15H17ClFN3/c1-9(18)12-7-10-3-2-4-13(16)14(10)19-15(12)20-6-5-11(17)8-20/h2-4,7,9,11H,5-6,8,18H2,1H3/t9-,11-/m0/s1
InChIKeyADRYLNFMLTWYDM-ONGXEEELSA-N
MW293.77 g/mol
LogP3.46
Rot. Bonds2

About (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine

(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine (PubChem CID 66776445) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine
PubChem CID66776445
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1N1CC[C@H](F)C1
InChIInChI=1S/C15H17ClFN3/c1-9(18)12-7-10-3-2-4-13(16)14(10)19-15(12)20-6-5-11(17)8-20/h2-4,7,9,11H,5-6,8,18H2,1H3/t9-,11-/m0/s1
InChIKeyADRYLNFMLTWYDM-ONGXEEELSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine (CID 66776445) is (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine is C[C@H](N)c1cc2cccc(Cl)c2nc1N1CC[C@H](F)C1.
What is the InChIKey of (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine?
The InChIKey is ADRYLNFMLTWYDM-ONGXEEELSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9(18)12-7-10-3-2-4-13(16)14(10)19-15(12)20-6-5-11(17)8-20/h2-4,7,9,11H,5-6,8,18H2,1H3/t9-,11-/m0/s1.
What are the key properties of (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine?
(1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[8-chloro-2-[(3S)-3-fluoropyrrolidin-1-yl]quinolin-3-yl]ethanamine is sourced from PubChem (CID 66776445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).