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

C24H25FN4O3 — CID 53333886

IUPAC[4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H25FN4O3/c25-17-6-7-20-18(15-17)22(19(16-26-20)23(30)28-8-2-1-3-9-28)27-10-12-29(13-11-27)24(31)21-5-4-14-32-21/h4-7,14-16H,1-3,8-13H2
InChIKeyIAFOGUBQONNLNW-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.56
Rot. Bonds3

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

[4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 53333886) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID53333886
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name[4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H25FN4O3/c25-17-6-7-20-18(15-17)22(19(16-26-20)23(30)28-8-2-1-3-9-28)27-10-12-29(13-11-27)24(31)21-5-4-14-32-21/h4-7,14-16H,1-3,8-13H2
InChIKeyIAFOGUBQONNLNW-UHFFFAOYSA-N
XLogP3.56
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.56
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-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 53333886) is [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IAFOGUBQONNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-17-6-7-20-18(15-17)22(19(16-26-20)23(30)28-8-2-1-3-9-28)27-10-12-29(13-11-27)24(31)21-5-4-14-32-21/h4-7,14-16H,1-3,8-13H2.
What are the key properties of [4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6-fluoro-3-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 436.49 g/mol, XLogP of 3.56, 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-(piperidine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 53333886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).