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

C25H23N3O3 — CID 20868577

IUPAC1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1
InChIInChI=1S/C25H23N3O3/c1-16-21-15-23(31-24(21)20-5-3-4-6-22(20)26-16)25(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)17(2)29/h3-10,15H,11-14H2,1-2H3
InChIKeyGESARJIVDYKIEN-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.45
Rot. Bonds3

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

1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 20868577) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID20868577
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1
InChIInChI=1S/C25H23N3O3/c1-16-21-15-23(31-24(21)20-5-3-4-6-22(20)26-16)25(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)17(2)29/h3-10,15H,11-14H2,1-2H3
InChIKeyGESARJIVDYKIEN-UHFFFAOYSA-N
XLogP4.45
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 20868577) is 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is GESARJIVDYKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-21-15-23(31-24(21)20-5-3-4-6-22(20)26-16)25(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)17(2)29/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 413.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 20868577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).