N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide

C17H16N2O2S — CID 137259446

IUPACN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)c3ccsc3)C=C2NC1=O
InChIInChI=1S/C17H16N2O2S/c1-3-13-10(2)14-5-4-12(8-15(14)19-17(13)21)18-16(20)11-6-7-22-9-11/h4-9,14H,3H2,1-2H3,(H,19,21)/b18-12+
InChIKeyNIGFZDRYMOMGAX-LDADJPATSA-N
MW312.39 g/mol
LogP3.26
Rot. Bonds2

About N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide

N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide (PubChem CID 137259446) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide
PubChem CID137259446
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)c3ccsc3)C=C2NC1=O
InChIInChI=1S/C17H16N2O2S/c1-3-13-10(2)14-5-4-12(8-15(14)19-17(13)21)18-16(20)11-6-7-22-9-11/h4-9,14H,3H2,1-2H3,(H,19,21)/b18-12+
InChIKeyNIGFZDRYMOMGAX-LDADJPATSA-N
XLogP3.26
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide?
The IUPAC name of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide (CID 137259446) is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide?
The canonical SMILES for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide is CCC1=C(C)C2C=C/C(=N\C(=O)c3ccsc3)C=C2NC1=O.
What is the InChIKey of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide?
The InChIKey is NIGFZDRYMOMGAX-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-13-10(2)14-5-4-12(8-15(14)19-17(13)21)18-16(20)11-6-7-22-9-11/h4-9,14H,3H2,1-2H3,(H,19,21)/b18-12+.
What are the key properties of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide?
N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)thiophene-3-carboxamide is sourced from PubChem (CID 137259446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).