2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

C19H24N2O4S — CID 12677811

IUPAC2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCCCCc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2.NCCO
InChIInChI=1S/C17H17NO3S.C2H7NO/c1-2-3-4-10-5-6-15-11(7-10)16-12(9-22-15)14(19)8-13(18-16)17(20)21;3-1-2-4/h5-8H,2-4,9H2,1H3,(H,18,19)(H,20,21);4H,1-3H2
InChIKeyASRKZPSTQHGYSP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.63
Rot. Bonds5

About 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (PubChem CID 12677811) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
PubChem CID12677811
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCCCCc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2.NCCO
InChIInChI=1S/C17H17NO3S.C2H7NO/c1-2-3-4-10-5-6-15-11(7-10)16-12(9-22-15)14(19)8-13(18-16)17(20)21;3-1-2-4/h5-8H,2-4,9H2,1H3,(H,18,19)(H,20,21);4H,1-3H2
InChIKeyASRKZPSTQHGYSP-UHFFFAOYSA-N
XLogP2.63
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
CID 12677802
4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
CID 63375917
2-[5-butyl-2-(2-carboxyphenyl)-3-ethylphenyl]benzoic acid
CID 151639157
2-(3-bromo-5-butyl-1H-indol-2-yl)benzoic acid
CID 67941308
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134139256
3,5-dihexylbenzoic acid
CID 141246135
CID 101297352
CID 101297352
4-[2-(2-fluoro-4-pentylphenyl)-4-octylphenyl]benzoic acid
CID 67897290
4-butyl-2-hydroxybenzoic acid
CID 14895249
6-hexyl-4-oxo-1H-isothiochromene-1-carboxylic acid
CID 14997437

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (CID 12677811) is 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is CCCCc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2.NCCO.
What is the InChIKey of 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The InChIKey is ASRKZPSTQHGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S.C2H7NO/c1-2-3-4-10-5-6-15-11(7-10)16-12(9-22-15)14(19)8-13(18-16)17(20)21;3-1-2-4/h5-8H,2-4,9H2,1H3,(H,18,19)(H,20,21);4H,1-3H2.
What are the key properties of 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid has a molecular weight of 376.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;9-butyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 12677811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).