2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide

C14H16N2O2 — CID 89210253

IUPAC2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide
SMILESC=CCC1C(=O)c2ccccc2NC1CC(N)=O
InChIInChI=1S/C14H16N2O2/c1-2-5-9-12(8-13(15)17)16-11-7-4-3-6-10(11)14(9)18/h2-4,6-7,9,12,16H,1,5,8H2,(H2,15,17)
InChIKeyRUCQZIVQCKJKJQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide

2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide (PubChem CID 89210253) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide
PubChem CID89210253
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide
SMILESC=CCC1C(=O)c2ccccc2NC1CC(N)=O
InChIInChI=1S/C14H16N2O2/c1-2-5-9-12(8-13(15)17)16-11-7-4-3-6-10(11)14(9)18/h2-4,6-7,9,12,16H,1,5,8H2,(H2,15,17)
InChIKeyRUCQZIVQCKJKJQ-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide (CID 89210253) is 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide is C=CCC1C(=O)c2ccccc2NC1CC(N)=O.
What is the InChIKey of 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide?
The InChIKey is RUCQZIVQCKJKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-5-9-12(8-13(15)17)16-11-7-4-3-6-10(11)14(9)18/h2-4,6-7,9,12,16H,1,5,8H2,(H2,15,17).
What are the key properties of 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide?
2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide is sourced from PubChem (CID 89210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).