3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol

C18H24N4O3 — CID 4999029

IUPAC3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol
SMILESCCC(CO)Nc1c2ccccc2nc2c1c(C)nn2CC(O)CO
InChIInChI=1S/C18H24N4O3/c1-3-12(9-23)19-17-14-6-4-5-7-15(14)20-18-16(17)11(2)21-22(18)8-13(25)10-24/h4-7,12-13,23-25H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyRJTZULOLZPLCOA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.43
Rot. Bonds7

About 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol

3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol (PubChem CID 4999029) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol
PubChem CID4999029
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol
SMILESCCC(CO)Nc1c2ccccc2nc2c1c(C)nn2CC(O)CO
InChIInChI=1S/C18H24N4O3/c1-3-12(9-23)19-17-14-6-4-5-7-15(14)20-18-16(17)11(2)21-22(18)8-13(25)10-24/h4-7,12-13,23-25H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyRJTZULOLZPLCOA-UHFFFAOYSA-N
XLogP1.43
TPSA103.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol with MolForge

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Related Compounds

1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
CID 24766988
N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
CID 70087461
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
2-(2,3-dihydroxypropyl)-3-methylcyclohepta[c]pyrazol-8-one
CID 15025752
1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
CID 70088815
N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 45052613
1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
CID 90678436
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
CID 91964106
ethyl 4-(1,3-dihydroxypropan-2-ylamino)cinnoline-3-carboxylate
CID 65313889
2-[(4-methylphthalazin-1-yl)amino]propane-1,3-diol
CID 65314332
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol (CID 4999029) is 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol is CCC(CO)Nc1c2ccccc2nc2c1c(C)nn2CC(O)CO.
What is the InChIKey of 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol?
The InChIKey is RJTZULOLZPLCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-12(9-23)19-17-14-6-4-5-7-15(14)20-18-16(17)11(2)21-22(18)8-13(25)10-24/h4-7,12-13,23-25H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol?
3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol has a molecular weight of 344.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxybutan-2-ylamino)-3-methylpyrazolo[3,4-b]quinolin-1-yl]propane-1,2-diol is sourced from PubChem (CID 4999029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).