2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C16H15ClN4O — CID 56751478

IUPAC2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccnc3cc(Cl)ccc13)C2
InChIInChI=1S/C16H15ClN4O/c17-12-1-2-13-14(7-12)18-4-3-15(13)20-9-11-8-19-21(5-6-22)16(11)10-20/h1-4,7-8,22H,5-6,9-10H2
InChIKeyBGZQPIHMCNZDRZ-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.60
Rot. Bonds3

About 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56751478) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56751478
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccnc3cc(Cl)ccc13)C2
InChIInChI=1S/C16H15ClN4O/c17-12-1-2-13-14(7-12)18-4-3-15(13)20-9-11-8-19-21(5-6-22)16(11)10-20/h1-4,7-8,22H,5-6,9-10H2
InChIKeyBGZQPIHMCNZDRZ-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

Analyze 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
[4-(7-chloroquinolin-4-yl)morpholin-2-yl]methanol
CID 79839533
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56751478) is 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is OCCn1ncc2c1CN(c1ccnc3cc(Cl)ccc13)C2.
What is the InChIKey of 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is BGZQPIHMCNZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-12-1-2-13-14(7-12)18-4-3-15(13)20-9-11-8-19-21(5-6-22)16(11)10-20/h1-4,7-8,22H,5-6,9-10H2.
What are the key properties of 2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(7-chloroquinolin-4-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-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).