furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone

C22H19N3O3S — CID 3238745

IUPACfuran-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1
InChIInChI=1S/C22H19N3O3S/c1-14-4-5-15-12-16-13-19(29-20(16)23-17(15)11-14)22(27)25-8-6-24(7-9-25)21(26)18-3-2-10-28-18/h2-5,10-13H,6-9H2,1H3
InChIKeyPZWLOFXLFLMBJE-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.95
Rot. Bonds2

About furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 3238745) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone
PubChem CID3238745
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Namefuran-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1
InChIInChI=1S/C22H19N3O3S/c1-14-4-5-15-12-16-13-19(29-20(16)23-17(15)11-14)22(27)25-8-6-24(7-9-25)21(26)18-3-2-10-28-18/h2-5,10-13H,6-9H2,1H3
InChIKeyPZWLOFXLFLMBJE-UHFFFAOYSA-N
XLogP3.95
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.95
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-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone (CID 3238745) is furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone is Cc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1.
What is the InChIKey of furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PZWLOFXLFLMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-4-5-15-12-16-13-19(29-20(16)23-17(15)11-14)22(27)25-8-6-24(7-9-25)21(26)18-3-2-10-28-18/h2-5,10-13H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(7-methylthieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3238745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).