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

C22H18N2O2 — CID 3368501

IUPAC2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)o1
InChIInChI=1S/C22H18N2O2/c1-14-7-3-5-9-18(14)24-22(25)17-13-20(21-12-11-15(2)26-21)23-19-10-6-4-8-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyBFGPCAVBXXNSKC-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.36
Rot. Bonds3

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

2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 3368501) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID3368501
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)o1
InChIInChI=1S/C22H18N2O2/c1-14-7-3-5-9-18(14)24-22(25)17-13-20(21-12-11-15(2)26-21)23-19-10-6-4-8-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyBFGPCAVBXXNSKC-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-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide (CID 3368501) is 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is BFGPCAVBXXNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-7-3-5-9-18(14)24-22(25)17-13-20(21-12-11-15(2)26-21)23-19-10-6-4-8-16(17)19/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(2-methylphenyl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(2-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-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3368501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).