[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C27H24FN3O4 — CID 53209871

IUPAC[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C27H24FN3O4/c1-2-34-25-17-23(18-5-8-20(28)9-6-18)29-22-10-7-19(16-21(22)25)26(32)30-11-13-31(14-12-30)27(33)24-4-3-15-35-24/h3-10,15-17H,2,11-14H2,1H3
InChIKeyVDWINJQANNZNDO-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.63
Rot. Bonds5

About [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 53209871) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID53209871
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C27H24FN3O4/c1-2-34-25-17-23(18-5-8-20(28)9-6-18)29-22-10-7-19(16-21(22)25)26(32)30-11-13-31(14-12-30)27(33)24-4-3-15-35-24/h3-10,15-17H,2,11-14H2,1H3
InChIKeyVDWINJQANNZNDO-UHFFFAOYSA-N
XLogP4.63
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 53209871) is [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12.
What is the InChIKey of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is VDWINJQANNZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-2-34-25-17-23(18-5-8-20(28)9-6-18)29-22-10-7-19(16-21(22)25)26(32)30-11-13-31(14-12-30)27(33)24-4-3-15-35-24/h3-10,15-17H,2,11-14H2,1H3.
What are the key properties of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 473.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53209871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).