5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one

C16H16ClN3O2 — CID 122655187

IUPAC5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one
SMILESCCCN1C(=O)C(O)(Cc2ccnnc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-2-7-20-14-4-3-12(17)8-13(14)16(22,15(20)21)9-11-5-6-18-19-10-11/h3-6,8,10,22H,2,7,9H2,1H3
InChIKeyIDHKILKTFIHHMZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.32
Rot. Bonds4

About 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one

5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one (PubChem CID 122655187) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one
PubChem CID122655187
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one
SMILESCCCN1C(=O)C(O)(Cc2ccnnc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-2-7-20-14-4-3-12(17)8-13(14)16(22,15(20)21)9-11-5-6-18-19-10-11/h3-6,8,10,22H,2,7,9H2,1H3
InChIKeyIDHKILKTFIHHMZ-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one (CID 122655187) is 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one is CCCN1C(=O)C(O)(Cc2ccnnc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one?
The InChIKey is IDHKILKTFIHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-7-20-14-4-3-12(17)8-13(14)16(22,15(20)21)9-11-5-6-18-19-10-11/h3-6,8,10,22H,2,7,9H2,1H3.
What are the key properties of 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one?
5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 122655187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).