N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C18H20N2O4S — CID 6622439

IUPACN-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCC(OC)OC)sc2c2ccccc21
InChIInChI=1S/C18H20N2O4S/c1-4-20-13-8-6-5-7-11(13)16-12(18(20)22)9-14(25-16)17(21)19-10-15(23-2)24-3/h5-9,15H,4,10H2,1-3H3,(H,19,21)
InChIKeyAAOLKAAARKDUMQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.58
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622439) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622439
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCC(OC)OC)sc2c2ccccc21
InChIInChI=1S/C18H20N2O4S/c1-4-20-13-8-6-5-7-11(13)16-12(18(20)22)9-14(25-16)17(21)19-10-15(23-2)24-3/h5-9,15H,4,10H2,1-3H3,(H,19,21)
InChIKeyAAOLKAAARKDUMQ-UHFFFAOYSA-N
XLogP2.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 6622439) is N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)NCC(OC)OC)sc2c2ccccc21.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is AAOLKAAARKDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-20-13-8-6-5-7-11(13)16-12(18(20)22)9-14(25-16)17(21)19-10-15(23-2)24-3/h5-9,15H,4,10H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).