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

C15H16N2O2 — CID 137258008

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C3CC3)C=C2NC1=O
InChIInChI=1S/C15H16N2O2/c1-8-9(2)14(18)17-13-7-11(5-6-12(8)13)16-15(19)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3,(H,17,18)/b16-11+
InChIKeyXYWXTSKSHCJVJL-LFIBNONCSA-N
MW256.30 g/mol
LogP1.90
Rot. Bonds1

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

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide (PubChem CID 137258008) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
PubChem CID137258008
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C3CC3)C=C2NC1=O
InChIInChI=1S/C15H16N2O2/c1-8-9(2)14(18)17-13-7-11(5-6-12(8)13)16-15(19)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3,(H,17,18)/b16-11+
InChIKeyXYWXTSKSHCJVJL-LFIBNONCSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.90
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)cyclopropanecarboxamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide (CID 137258008) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide is CC1=C(C)C2C=C/C(=N\C(=O)C3CC3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide?
The InChIKey is XYWXTSKSHCJVJL-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-8-9(2)14(18)17-13-7-11(5-6-12(8)13)16-15(19)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3,(H,17,18)/b16-11+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.90, 1 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)cyclopropanecarboxamide is sourced from PubChem (CID 137258008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).