2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide

C18H16N2O2 — CID 3420064

IUPAC2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-3-10-19-18(21)14-11-16(17-9-8-12(2)22-17)20-15-7-5-4-6-13(14)15/h3-9,11H,1,10H2,2H3,(H,19,21)
InChIKeyKXEDMYZTWOIGKH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.72
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide (PubChem CID 3420064) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
PubChem CID3420064
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C18H16N2O2/c1-3-10-19-18(21)14-11-16(17-9-8-12(2)22-17)20-15-7-5-4-6-13(14)15/h3-9,11H,1,10H2,2H3,(H,19,21)
InChIKeyKXEDMYZTWOIGKH-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide (CID 3420064) is 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide is C=CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide?
The InChIKey is KXEDMYZTWOIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-10-19-18(21)14-11-16(17-9-8-12(2)22-17)20-15-7-5-4-6-13(14)15/h3-9,11H,1,10H2,2H3,(H,19,21).
What are the key properties of 2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.72, 4 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-prop-2-enylquinoline-4-carboxamide is sourced from PubChem (CID 3420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).