[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate

C23H15ClN2O5 — CID 2936058

IUPAC[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc12
InChIInChI=1S/C23H15ClN2O5/c1-14(27)30-22-4-2-3-15-5-6-16(25-23(15)22)7-9-18-10-12-21(31-18)19-11-8-17(26(28)29)13-20(19)24/h2-13H,1H3
InChIKeyMWZFQAHXNRSJTF-UHFFFAOYSA-N
MW434.84 g/mol
LogP6.15
Rot. Bonds5

About [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate

[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate (PubChem CID 2936058) has the molecular formula C23H15ClN2O5 and a molecular weight of 434.84 g/mol. Its IUPAC name is [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate
PubChem CID2936058
Molecular FormulaC23H15ClN2O5
Molecular Weight434.84 g/mol
Exact Mass434.07
IUPAC Name[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc12
InChIInChI=1S/C23H15ClN2O5/c1-14(27)30-22-4-2-3-15-5-6-16(25-23(15)22)7-9-18-10-12-21(31-18)19-11-8-17(26(28)29)13-20(19)24/h2-13H,1H3
InChIKeyMWZFQAHXNRSJTF-UHFFFAOYSA-N
XLogP6.15
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate?
The IUPAC name of [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate (CID 2936058) is [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate.
What is the SMILES notation for [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate?
The canonical SMILES for [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate is CC(=O)Oc1cccc2ccc(C=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc12.
What is the InChIKey of [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate?
The InChIKey is MWZFQAHXNRSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O5/c1-14(27)30-22-4-2-3-15-5-6-16(25-23(15)22)7-9-18-10-12-21(31-18)19-11-8-17(26(28)29)13-20(19)24/h2-13H,1H3.
What are the key properties of [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate?
[2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate has a molecular weight of 434.84 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-yl] acetate is sourced from PubChem (CID 2936058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).