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

C13H13ClN2O2 — CID 137259175

IUPAC3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCCl)C=CC12
InChIInChI=1S/C13H13ClN2O2/c1-8-6-13(18)16-11-7-9(2-3-10(8)11)15-12(17)4-5-14/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)/b15-9+
InChIKeyGNZIEKKQWOXXOX-OQLLNIDSSA-N
MW264.71 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide

3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259175) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259175
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCCl)C=CC12
InChIInChI=1S/C13H13ClN2O2/c1-8-6-13(18)16-11-7-9(2-3-10(8)11)15-12(17)4-5-14/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)/b15-9+
InChIKeyGNZIEKKQWOXXOX-OQLLNIDSSA-N
XLogP1.73
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259176
2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259177
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 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259175) is 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CCCl)C=CC12.
What is the InChIKey of 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is GNZIEKKQWOXXOX-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-6-13(18)16-11-7-9(2-3-10(8)11)15-12(17)4-5-14/h2-3,6-7,10H,4-5H2,1H3,(H,16,18)/b15-9+.
What are the key properties of 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-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, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).