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

C17H16N2O3 — CID 18168945

IUPACN-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-21-19-17(20)13-10-15(16-9-8-11(2)22-16)18-14-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyXAPJODQJLTVJLZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.48
Rot. Bonds4

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

N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 18168945) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID18168945
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-21-19-17(20)13-10-15(16-9-8-11(2)22-16)18-14-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyXAPJODQJLTVJLZ-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2635528
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4031723

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 18168945) is N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is CCONC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12.
What is the InChIKey of N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is XAPJODQJLTVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-21-19-17(20)13-10-15(16-9-8-11(2)22-16)18-14-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 18168945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).