3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide

C17H14N2O2 — CID 721179

IUPAC3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc3cccnc23)o1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-14(21-12)9-10-16(20)19-15-6-2-4-13-5-3-11-18-17(13)15/h2-11H,1H3,(H,19,20)
InChIKeyXOMVWKLYTOPTJY-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.79
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide

3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 721179) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
PubChem CID721179
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc3cccnc23)o1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-14(21-12)9-10-16(20)19-15-6-2-4-13-5-3-11-18-17(13)15/h2-11H,1H3,(H,19,20)
InChIKeyXOMVWKLYTOPTJY-UHFFFAOYSA-N
XLogP3.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47234593
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037436
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(quinolin-8-ylcarbamothioyl)prop-2-enamide
CID 22782163
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 78778651

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide (CID 721179) is 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccc3cccnc23)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is XOMVWKLYTOPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-8-14(21-12)9-10-16(20)19-15-6-2-4-13-5-3-11-18-17(13)15/h2-11H,1H3,(H,19,20).
What are the key properties of 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide?
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 721179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).