2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

C19H18N2O4S — CID 14223944

IUPAC2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCOc1ccc(/N=C/c2cc3c(=O)c(C(=O)O)cn(CC)c3s2)cc1
InChIInChI=1S/C19H18N2O4S/c1-3-21-11-16(19(23)24)17(22)15-9-14(26-18(15)21)10-20-12-5-7-13(8-6-12)25-4-2/h5-11H,3-4H2,1-2H3,(H,23,24)/b20-10+
InChIKeyOSFZUVUXYROSLK-KEBDBYFISA-N
MW370.43 g/mol
LogP3.93
Rot. Bonds6

About 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 14223944) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID14223944
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCOc1ccc(/N=C/c2cc3c(=O)c(C(=O)O)cn(CC)c3s2)cc1
InChIInChI=1S/C19H18N2O4S/c1-3-21-11-16(19(23)24)17(22)15-9-14(26-18(15)21)10-20-12-5-7-13(8-6-12)25-4-2/h5-11H,3-4H2,1-2H3,(H,23,24)/b20-10+
InChIKeyOSFZUVUXYROSLK-KEBDBYFISA-N
XLogP3.93
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 3045247
7-ethyl-2-(N'-ethylcarbamimidoyl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 57103908
2-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]benzoic acid
CID 18795158
1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
1-ethyl-7-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-4-oxoquinoline-3-carboxylic acid
CID 71660714
1-[(2,5-diethoxyphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519555
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 142486641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 14223944) is 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is CCOc1ccc(/N=C/c2cc3c(=O)c(C(=O)O)cn(CC)c3s2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is OSFZUVUXYROSLK-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-21-11-16(19(23)24)17(22)15-9-14(26-18(15)21)10-20-12-5-7-13(8-6-12)25-4-2/h5-11H,3-4H2,1-2H3,(H,23,24)/b20-10+.
What are the key properties of 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 14223944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).