4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide

C14H14N2O2 — CID 170798715

IUPAC4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide
SMILESCc1cc(=O)c2cc(C=CCC(N)=O)ccc2[nH]1
InChIInChI=1S/C14H14N2O2/c1-9-7-13(17)11-8-10(3-2-4-14(15)18)5-6-12(11)16-9/h2-3,5-8H,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYHXHTPCVGOXCBN-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.73
Rot. Bonds3

About 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide

4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide (PubChem CID 170798715) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide
PubChem CID170798715
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide
SMILESCc1cc(=O)c2cc(C=CCC(N)=O)ccc2[nH]1
InChIInChI=1S/C14H14N2O2/c1-9-7-13(17)11-8-10(3-2-4-14(15)18)5-6-12(11)16-9/h2-3,5-8H,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYHXHTPCVGOXCBN-UHFFFAOYSA-N
XLogP1.73
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide?
The IUPAC name of 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide (CID 170798715) is 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide.
What is the SMILES notation for 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide?
The canonical SMILES for 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide is Cc1cc(=O)c2cc(C=CCC(N)=O)ccc2[nH]1.
What is the InChIKey of 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide?
The InChIKey is YHXHTPCVGOXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-13(17)11-8-10(3-2-4-14(15)18)5-6-12(11)16-9/h2-3,5-8H,4H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide?
4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxo-1H-quinolin-6-yl)but-3-enamide is sourced from PubChem (CID 170798715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).