N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide

C17H14N2O4 — CID 137259622

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccc(=O)oc3)C=C2NC1=O
InChIInChI=1S/C17H14N2O4/c1-9-10(2)16(21)19-14-7-12(4-5-13(9)14)18-17(22)11-3-6-15(20)23-8-11/h3-8,13H,1-2H3,(H,19,21)/b18-12+
InChIKeyZGOQQHJVMVXZLI-LDADJPATSA-N
MW310.31 g/mol
LogP1.76
Rot. Bonds1

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide (PubChem CID 137259622) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide
PubChem CID137259622
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccc(=O)oc3)C=C2NC1=O
InChIInChI=1S/C17H14N2O4/c1-9-10(2)16(21)19-14-7-12(4-5-13(9)14)18-17(22)11-3-6-15(20)23-8-11/h3-8,13H,1-2H3,(H,19,21)/b18-12+
InChIKeyZGOQQHJVMVXZLI-LDADJPATSA-N
XLogP1.76
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide (CID 137259622) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide is CC1=C(C)C2C=C/C(=N\C(=O)c3ccc(=O)oc3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide?
The InChIKey is ZGOQQHJVMVXZLI-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-10(2)16(21)19-14-7-12(4-5-13(9)14)18-17(22)11-3-6-15(20)23-8-11/h3-8,13H,1-2H3,(H,19,21)/b18-12+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 137259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).