2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide

C22H18N2O2 — CID 868700

IUPAC2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyOBTZDIRUQWFRFZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 868700) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID868700
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25)
InChIKeyOBTZDIRUQWFRFZ-UHFFFAOYSA-N
XLogP5.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide (CID 868700) is 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is OBTZDIRUQWFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 868700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).