7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide

C20H15ClN2O2 — CID 20853909

IUPAC7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1
InChIInChI=1S/C20H15ClN2O2/c1-2-12-3-7-16(8-4-12)22-19(24)18-10-14-9-13-5-6-15(21)11-17(13)23-20(14)25-18/h3-11H,2H2,1H3,(H,22,24)
InChIKeyUDACYJBNGMZOQE-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.45
Rot. Bonds3

About 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide

7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide (PubChem CID 20853909) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide
PubChem CID20853909
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1
InChIInChI=1S/C20H15ClN2O2/c1-2-12-3-7-16(8-4-12)22-19(24)18-10-14-9-13-5-6-15(21)11-17(13)23-20(14)25-18/h3-11H,2H2,1H3,(H,22,24)
InChIKeyUDACYJBNGMZOQE-UHFFFAOYSA-N
XLogP5.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide (CID 20853909) is 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide is CCc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1.
What is the InChIKey of 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide?
The InChIKey is UDACYJBNGMZOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-2-12-3-7-16(8-4-12)22-19(24)18-10-14-9-13-5-6-15(21)11-17(13)23-20(14)25-18/h3-11H,2H2,1H3,(H,22,24).
What are the key properties of 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide?
7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-ethylphenyl)furo[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20853909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).