3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde

C14H11NO3S — CID 88591989

IUPAC3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde
SMILESCOc1c(C=O)sc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C14H11NO3S/c1-15-9-6-4-3-5-8(9)13-11(14(15)17)12(18-2)10(7-16)19-13/h3-7H,1-2H3
InChIKeyDRWIWEZOHAWVCB-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.57
Rot. Bonds2

About 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde

3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde (PubChem CID 88591989) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde
PubChem CID88591989
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde
SMILESCOc1c(C=O)sc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C14H11NO3S/c1-15-9-6-4-3-5-8(9)13-11(14(15)17)12(18-2)10(7-16)19-13/h3-7H,1-2H3
InChIKeyDRWIWEZOHAWVCB-UHFFFAOYSA-N
XLogP2.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde?
The IUPAC name of 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde (CID 88591989) is 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde?
The canonical SMILES for 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde is COc1c(C=O)sc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde?
The InChIKey is DRWIWEZOHAWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-15-9-6-4-3-5-8(9)13-11(14(15)17)12(18-2)10(7-16)19-13/h3-7H,1-2H3.
What are the key properties of 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde?
3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde has a molecular weight of 273.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde is sourced from PubChem (CID 88591989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).