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

C28H27N3O4 — CID 20931925

IUPAC[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C28H27N3O4/c1-3-34-26-18-24(20-8-6-19(2)7-9-20)29-23-11-10-21(17-22(23)26)27(32)30-12-14-31(15-13-30)28(33)25-5-4-16-35-25/h4-11,16-18H,3,12-15H2,1-2H3
InChIKeyPMBMIFYKVYJTNS-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.80
Rot. Bonds5

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

[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 20931925) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID20931925
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
InChIInChI=1S/C28H27N3O4/c1-3-34-26-18-24(20-8-6-19(2)7-9-20)29-23-11-10-21(17-22(23)26)27(32)30-12-14-31(15-13-30)28(33)25-5-4-16-35-25/h4-11,16-18H,3,12-15H2,1-2H3
InChIKeyPMBMIFYKVYJTNS-UHFFFAOYSA-N
XLogP4.80
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.80
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-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 20931925) is [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12.
What is the InChIKey of [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PMBMIFYKVYJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-3-34-26-18-24(20-8-6-19(2)7-9-20)29-23-11-10-21(17-22(23)26)27(32)30-12-14-31(15-13-30)28(33)25-5-4-16-35-25/h4-11,16-18H,3,12-15H2,1-2H3.
What are the key properties of [4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 469.54 g/mol, XLogP of 4.80, 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-methylphenyl)quinolin-6-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20931925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).