[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C19H20FN3O3 — CID 70739483

IUPAC[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccc2cccc(F)c2n1)N1CCOCC1
InChIInChI=1S/C19H20FN3O3/c20-14-4-1-3-13-6-7-15(21-17(13)14)18(24)23-8-2-5-16(23)19(25)22-9-11-26-12-10-22/h1,3-4,6-7,16H,2,5,8-12H2/t16-/m0/s1
InChIKeySJNSKINLUZSGBC-INIZCTEOSA-N
MW357.39 g/mol
LogP1.84
Rot. Bonds2

About [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 70739483) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID70739483
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccc2cccc(F)c2n1)N1CCOCC1
InChIInChI=1S/C19H20FN3O3/c20-14-4-1-3-13-6-7-15(21-17(13)14)18(24)23-8-2-5-16(23)19(25)22-9-11-26-12-10-22/h1,3-4,6-7,16H,2,5,8-12H2/t16-/m0/s1
InChIKeySJNSKINLUZSGBC-INIZCTEOSA-N
XLogP1.84
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 70739483) is [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCN1C(=O)c1ccc2cccc(F)c2n1)N1CCOCC1.
What is the InChIKey of [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SJNSKINLUZSGBC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-4-1-3-13-6-7-15(21-17(13)14)18(24)23-8-2-5-16(23)19(25)22-9-11-26-12-10-22/h1,3-4,6-7,16H,2,5,8-12H2/t16-/m0/s1.
What are the key properties of [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 357.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70739483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).