2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide

C21H16N2O3 — CID 903397

IUPAC2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N2O3/c1-25-15-10-8-14(9-11-15)22-21(24)17-13-19(20-7-4-12-26-20)23-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,22,24)
InChIKeyBOPDHGRHKGHMHM-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.76
Rot. Bonds4

About 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 903397) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID903397
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N2O3/c1-25-15-10-8-14(9-11-15)22-21(24)17-13-19(20-7-4-12-26-20)23-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,22,24)
InChIKeyBOPDHGRHKGHMHM-UHFFFAOYSA-N
XLogP4.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide (CID 903397) is 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is BOPDHGRHKGHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-15-10-8-14(9-11-15)22-21(24)17-13-19(20-7-4-12-26-20)23-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,22,24).
What are the key properties of 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 903397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).