furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone

C22H19N3O4 — CID 5307657

IUPACfuran-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C22H19N3O4/c1-14-16-13-19(29-20(16)15-5-2-3-6-17(15)23-14)22(27)25-10-8-24(9-11-25)21(26)18-7-4-12-28-18/h2-7,12-13H,8-11H2,1H3
InChIKeyYAAQOPKHWCBPND-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.48
Rot. Bonds2

About furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 5307657) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone
PubChem CID5307657
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namefuran-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C22H19N3O4/c1-14-16-13-19(29-20(16)15-5-2-3-6-17(15)23-14)22(27)25-10-8-24(9-11-25)21(26)18-7-4-12-28-18/h2-7,12-13H,8-11H2,1H3
InChIKeyYAAQOPKHWCBPND-UHFFFAOYSA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.48
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-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone (CID 5307657) is furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone is Cc1nc2ccccc2c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12.
What is the InChIKey of furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YAAQOPKHWCBPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-16-13-19(29-20(16)15-5-2-3-6-17(15)23-14)22(27)25-10-8-24(9-11-25)21(26)18-7-4-12-28-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 389.41 g/mol, XLogP of 3.48, 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-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5307657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).