[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C23H23FN4O3 — CID 53333828

IUPAC[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN4O3/c24-16-5-6-19-17(14-16)21(18(15-25-19)22(29)27-7-1-2-8-27)26-9-11-28(12-10-26)23(30)20-4-3-13-31-20/h3-6,13-15H,1-2,7-12H2
InChIKeyMCOSNSXTAJNCCG-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.17
Rot. Bonds3

About [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 53333828) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID53333828
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN4O3/c24-16-5-6-19-17(14-16)21(18(15-25-19)22(29)27-7-1-2-8-27)26-9-11-28(12-10-26)23(30)20-4-3-13-31-20/h3-6,13-15H,1-2,7-12H2
InChIKeyMCOSNSXTAJNCCG-UHFFFAOYSA-N
XLogP3.17
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 53333828) is [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MCOSNSXTAJNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-16-5-6-19-17(14-16)21(18(15-25-19)22(29)27-7-1-2-8-27)26-9-11-28(12-10-26)23(30)20-4-3-13-31-20/h3-6,13-15H,1-2,7-12H2.
What are the key properties of [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 422.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 53333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).