[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C18H21FN4O — CID 166110470

IUPAC[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCN(c2ccnc3cc(F)ccc23)CC1
InChIInChI=1S/C18H21FN4O/c19-14-1-2-15-16(11-14)21-6-4-17(15)22-7-9-23(10-8-22)18(24)13-3-5-20-12-13/h1-2,4,6,11,13,20H,3,5,7-10,12H2/t13-/m0/s1
InChIKeyKXGCJXQEGVQMDL-ZDUSSCGKSA-N
MW328.39 g/mol
LogP1.63
Rot. Bonds2

About [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 166110470) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID166110470
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCN(c2ccnc3cc(F)ccc23)CC1
InChIInChI=1S/C18H21FN4O/c19-14-1-2-15-16(11-14)21-6-4-17(15)22-7-9-23(10-8-22)18(24)13-3-5-20-12-13/h1-2,4,6,11,13,20H,3,5,7-10,12H2/t13-/m0/s1
InChIKeyKXGCJXQEGVQMDL-ZDUSSCGKSA-N
XLogP1.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 166110470) is [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is O=C([C@H]1CCNC1)N1CCN(c2ccnc3cc(F)ccc23)CC1.
What is the InChIKey of [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is KXGCJXQEGVQMDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-1-2-15-16(11-14)21-6-4-17(15)22-7-9-23(10-8-22)18(24)13-3-5-20-12-13/h1-2,4,6,11,13,20H,3,5,7-10,12H2/t13-/m0/s1.
What are the key properties of [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 166110470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).