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

C22H18N2O3 — CID 3391261

IUPACN-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-2-26-20-11-6-5-10-18(20)24-22(25)16-14-19(21-12-7-13-27-21)23-17-9-4-3-8-15(16)17/h3-14H,2H2,1H3,(H,24,25)
InChIKeyQDJWFKLMEAXOJI-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.15
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 3391261) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID3391261
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-2-26-20-11-6-5-10-18(20)24-22(25)16-14-19(21-12-7-13-27-21)23-17-9-4-3-8-15(16)17/h3-14H,2H2,1H3,(H,24,25)
InChIKeyQDJWFKLMEAXOJI-UHFFFAOYSA-N
XLogP5.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 3391261) is N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is QDJWFKLMEAXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-26-20-11-6-5-10-18(20)24-22(25)16-14-19(21-12-7-13-27-21)23-17-9-4-3-8-15(16)17/h3-14H,2H2,1H3,(H,24,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3391261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).