furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone

C26H23N3O4 — CID 2360005

IUPACfuran-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O4/c1-32-19-10-8-18(9-11-19)23-17-21(20-5-2-3-6-22(20)27-23)25(30)28-12-14-29(15-13-28)26(31)24-7-4-16-33-24/h2-11,16-17H,12-15H2,1H3
InChIKeyPTLCFARLTJZBQF-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.10
Rot. Bonds4

About furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 2360005) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone
PubChem CID2360005
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Namefuran-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O4/c1-32-19-10-8-18(9-11-19)23-17-21(20-5-2-3-6-22(20)27-23)25(30)28-12-14-29(15-13-28)26(31)24-7-4-16-33-24/h2-11,16-17H,12-15H2,1H3
InChIKeyPTLCFARLTJZBQF-UHFFFAOYSA-N
XLogP4.10
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone (CID 2360005) is furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is PTLCFARLTJZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-19-10-8-18(9-11-19)23-17-21(20-5-2-3-6-22(20)27-23)25(30)28-12-14-29(15-13-28)26(31)24-7-4-16-33-24/h2-11,16-17H,12-15H2,1H3.
What are the key properties of furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 441.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2360005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).