furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone

C24H21N3O3S — CID 17374680

IUPACfuran-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)s1
InChIInChI=1S/C24H21N3O3S/c1-16-8-9-22(31-16)20-15-18(17-5-2-3-6-19(17)25-20)23(28)26-10-12-27(13-11-26)24(29)21-7-4-14-30-21/h2-9,14-15H,10-13H2,1H3
InChIKeyVIHWZBCFMMOKRX-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.46
Rot. Bonds3

About furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 17374680) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone
PubChem CID17374680
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Namefuran-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)s1
InChIInChI=1S/C24H21N3O3S/c1-16-8-9-22(31-16)20-15-18(17-5-2-3-6-19(17)25-20)23(28)26-10-12-27(13-11-26)24(29)21-7-4-14-30-21/h2-9,14-15H,10-13H2,1H3
InChIKeyVIHWZBCFMMOKRX-UHFFFAOYSA-N
XLogP4.46
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.46
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-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone (CID 17374680) is furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)s1.
What is the InChIKey of furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is VIHWZBCFMMOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-8-9-22(31-16)20-15-18(17-5-2-3-6-19(17)25-20)23(28)26-10-12-27(13-11-26)24(29)21-7-4-14-30-21/h2-9,14-15H,10-13H2,1H3.
What are the key properties of furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 431.52 g/mol, XLogP of 4.46, 3 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-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17374680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).