2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C16H15ClN4O — CID 56745527

IUPAC2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccc3cccc(Cl)c3n1)C2
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-2-11-4-5-15(19-16(11)13)20-9-12-8-18-21(6-7-22)14(12)10-20/h1-5,8,22H,6-7,9-10H2
InChIKeyCUAALNPDKQLKIW-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.60
Rot. Bonds3

About 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56745527) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56745527
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccc3cccc(Cl)c3n1)C2
InChIInChI=1S/C16H15ClN4O/c17-13-3-1-2-11-4-5-15(19-16(11)13)20-9-12-8-18-21(6-7-22)14(12)10-20/h1-5,8,22H,6-7,9-10H2
InChIKeyCUAALNPDKQLKIW-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56745527) is 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is OCCn1ncc2c1CN(c1ccc3cccc(Cl)c3n1)C2.
What is the InChIKey of 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is CUAALNPDKQLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-3-1-2-11-4-5-15(19-16(11)13)20-9-12-8-18-21(6-7-22)14(12)10-20/h1-5,8,22H,6-7,9-10H2.
What are the key properties of 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 314.78 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56745527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).