ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate

C15H16N4O3S — CID 67975481

IUPACethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(CCO)c2c1ccc1cnc(SC)nc12
InChIInChI=1S/C15H16N4O3S/c1-3-22-14(21)12-10-5-4-9-8-16-15(23-2)17-11(9)13(10)19(18-12)6-7-20/h4-5,8,20H,3,6-7H2,1-2H3
InChIKeyDOQZDBICCMKIBS-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.87
Rot. Bonds5

About ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate

ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate (PubChem CID 67975481) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
PubChem CID67975481
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Nameethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(CCO)c2c1ccc1cnc(SC)nc12
InChIInChI=1S/C15H16N4O3S/c1-3-22-14(21)12-10-5-4-9-8-16-15(23-2)17-11(9)13(10)19(18-12)6-7-20/h4-5,8,20H,3,6-7H2,1-2H3
InChIKeyDOQZDBICCMKIBS-UHFFFAOYSA-N
XLogP1.87
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57389556
2-[4-[(3-carbamoyl-8-methylsulfanylpyrazolo[4,5-h]quinazolin-1-yl)methyl]piperidin-1-yl]ethylcarbamic acid
CID 67975503
1-tert-butyl-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
CID 140589299
potassium 1-tert-butyl-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
CID 67976922
(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate
CID 174776346
ethyl 2-methyl-5-methylsulfanyl-3-nonadecoxypyrazolo[4,3-d]pyrimidine-7-carboxylate
CID 70496973
ethyl 7-methylsulfanyl-4-oxo-1H-pyrimido[4,5-c]pyridazine-3-carboxylate
CID 12999150
ethyl 3-dec-9-enoxy-2-methyl-5-methylsulfanylpyrazolo[4,3-d]pyrimidine-7-carboxylate
CID 70482703
ethyl 2-methylsulfanyl-6-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 132597856
8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride
CID 67973480
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 2-methylpyrazolo[3,4-c]pyridine-7-carboxylate
CID 118987364

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate (CID 67975481) is ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate is CCOC(=O)c1nn(CCO)c2c1ccc1cnc(SC)nc12.
What is the InChIKey of ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate?
The InChIKey is DOQZDBICCMKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-3-22-14(21)12-10-5-4-9-8-16-15(23-2)17-11(9)13(10)19(18-12)6-7-20/h4-5,8,20H,3,6-7H2,1-2H3.
What are the key properties of ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate?
ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate has a molecular weight of 332.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate is sourced from PubChem (CID 67975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).