N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C14H12N2O3S — CID 90704825

IUPACN-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C14H12N2O3S/c1-16(19-2)14(18)11-7-9-12(20-11)8-5-3-4-6-10(8)15-13(9)17/h3-7H,1-2H3,(H,15,17)
InChIKeySWXJCQJEQKJFNB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.38
Rot. Bonds2

About N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 90704825) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID90704825
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C14H12N2O3S/c1-16(19-2)14(18)11-7-9-12(20-11)8-5-3-4-6-10(8)15-13(9)17/h3-7H,1-2H3,(H,15,17)
InChIKeySWXJCQJEQKJFNB-UHFFFAOYSA-N
XLogP2.38
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 90704825) is N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is CON(C)C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is SWXJCQJEQKJFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-16(19-2)14(18)11-7-9-12(20-11)8-5-3-4-6-10(8)15-13(9)17/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 90704825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).