N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide

C19H17FN2O2 — CID 137259580

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(F)cc3)C=C2NC1=O
InChIInChI=1S/C19H17FN2O2/c1-11-12(2)19(24)22-17-10-15(7-8-16(11)17)21-18(23)9-13-3-5-14(20)6-4-13/h3-8,10,16H,9H2,1-2H3,(H,22,24)/b21-15+
InChIKeyMAVAMRSZAFRQMS-RCCKNPSSSA-N
MW324.36 g/mol
LogP2.87
Rot. Bonds2

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide (PubChem CID 137259580) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide
PubChem CID137259580
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(F)cc3)C=C2NC1=O
InChIInChI=1S/C19H17FN2O2/c1-11-12(2)19(24)22-17-10-15(7-8-16(11)17)21-18(23)9-13-3-5-14(20)6-4-13/h3-8,10,16H,9H2,1-2H3,(H,22,24)/b21-15+
InChIKeyMAVAMRSZAFRQMS-RCCKNPSSSA-N
XLogP2.87
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide (CID 137259580) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide is CC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(F)cc3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide?
The InChIKey is MAVAMRSZAFRQMS-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-12(2)19(24)22-17-10-15(7-8-16(11)17)21-18(23)9-13-3-5-14(20)6-4-13/h3-8,10,16H,9H2,1-2H3,(H,22,24)/b21-15+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide has a molecular weight of 324.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 137259580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).