N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C15H14N2O3S — CID 20855952

IUPACN-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C15H14N2O3S/c1-20-7-6-16-15(19)12-8-10-13(21-12)9-4-2-3-5-11(9)17-14(10)18/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeySSNCLPZRTLHYHT-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.12
Rot. Bonds4

About N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20855952) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20855952
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C15H14N2O3S/c1-20-7-6-16-15(19)12-8-10-13(21-12)9-4-2-3-5-11(9)17-14(10)18/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeySSNCLPZRTLHYHT-UHFFFAOYSA-N
XLogP2.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 20855952) is N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is COCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is SSNCLPZRTLHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-7-6-16-15(19)12-8-10-13(21-12)9-4-2-3-5-11(9)17-14(10)18/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20855952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).