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

C14H15ClN2O2 — CID 137259176

IUPAC4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCCCl)C=CC12
InChIInChI=1S/C14H15ClN2O2/c1-9-7-14(19)17-12-8-10(4-5-11(9)12)16-13(18)3-2-6-15/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,19)/b16-10+
InChIKeyBJMBPJLEDDVOCW-MHWRWJLKSA-N
MW278.74 g/mol
LogP2.12
Rot. Bonds3

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

4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259176) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259176
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCCCl)C=CC12
InChIInChI=1S/C14H15ClN2O2/c1-9-7-14(19)17-12-8-10(4-5-11(9)12)16-13(18)3-2-6-15/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,19)/b16-10+
InChIKeyBJMBPJLEDDVOCW-MHWRWJLKSA-N
XLogP2.12
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.12
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'}

Analyze 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259176) is 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CCCCl)C=CC12.
What is the InChIKey of 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is BJMBPJLEDDVOCW-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-7-14(19)17-12-8-10(4-5-11(9)12)16-13(18)3-2-6-15/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,19)/b16-10+.
What are the key properties of 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 278.74 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is sourced from PubChem (CID 137259176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).