2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide

C14H13ClN2O — CID 110490193

IUPAC2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C14H13ClN2O/c1-2-8-16-13(18)9-11-7-6-10-4-3-5-12(15)14(10)17-11/h2-7H,1,8-9H2,(H,16,18)
InChIKeyWGOIVMVXLOQYIB-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.73
Rot. Bonds4

About 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide

2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide (PubChem CID 110490193) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide
PubChem CID110490193
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C14H13ClN2O/c1-2-8-16-13(18)9-11-7-6-10-4-3-5-12(15)14(10)17-11/h2-7H,1,8-9H2,(H,16,18)
InChIKeyWGOIVMVXLOQYIB-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide (CID 110490193) is 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide?
The InChIKey is WGOIVMVXLOQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-8-16-13(18)9-11-7-6-10-4-3-5-12(15)14(10)17-11/h2-7H,1,8-9H2,(H,16,18).
What are the key properties of 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide?
2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide has a molecular weight of 260.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 110490193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).