2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide

C13H13ClN2O2 — CID 137259177

IUPAC2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Cl)C=CC12
InChIInChI=1S/C13H13ClN2O2/c1-7-5-12(17)16-11-6-9(3-4-10(7)11)15-13(18)8(2)14/h3-6,8,10H,1-2H3,(H,16,17)/b15-9+
InChIKeyGJAZPNYOTIHEBI-OQLLNIDSSA-N
MW264.71 g/mol
LogP1.73
Rot. Bonds1

About 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide

2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259177) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259177
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Cl)C=CC12
InChIInChI=1S/C13H13ClN2O2/c1-7-5-12(17)16-11-6-9(3-4-10(7)11)15-13(18)8(2)14/h3-6,8,10H,1-2H3,(H,16,17)/b15-9+
InChIKeyGJAZPNYOTIHEBI-OQLLNIDSSA-N
XLogP1.73
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 136286884
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259156
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259157
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137259158
3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259159
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259160
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259161
(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide
CID 137259169
3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259175
4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259176
3-chloro-2,2-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259177) is 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Cl)C=CC12.
What is the InChIKey of 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is GJAZPNYOTIHEBI-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-5-12(17)16-11-6-9(3-4-10(7)11)15-13(18)8(2)14/h3-6,8,10H,1-2H3,(H,16,17)/b15-9+.
What are the key properties of 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 264.71 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).