1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one

C17H18ClFN4O — CID 133297883

IUPAC1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(c2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C17H18ClFN4O/c18-13-3-6-20-16-12(13)1-2-14(15(16)19)22-8-4-11(5-9-22)23-10-7-21-17(23)24/h1-3,6,11H,4-5,7-10H2,(H,21,24)
InChIKeyALGUCPQNQMZPIR-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.02
Rot. Bonds2

About 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one

1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 133297883) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
PubChem CID133297883
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(c2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C17H18ClFN4O/c18-13-3-6-20-16-12(13)1-2-14(15(16)19)22-8-4-11(5-9-22)23-10-7-21-17(23)24/h1-3,6,11H,4-5,7-10H2,(H,21,24)
InChIKeyALGUCPQNQMZPIR-UHFFFAOYSA-N
XLogP3.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one (CID 133297883) is 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(c2ccc3c(Cl)ccnc3c2F)CC1.
What is the InChIKey of 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ALGUCPQNQMZPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-13-3-6-20-16-12(13)1-2-14(15(16)19)22-8-4-11(5-9-22)23-10-7-21-17(23)24/h1-3,6,11H,4-5,7-10H2,(H,21,24).
What are the key properties of 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 348.81 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 133297883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).