5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one

C24H17ClN2O3 — CID 50904505

IUPAC5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1
InChIInChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
InChIKeyQHVSQUYCVUHYKT-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.32
Rot. Bonds4

About 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one

5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one (PubChem CID 50904505) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
PubChem CID50904505
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1
InChIInChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
InChIKeyQHVSQUYCVUHYKT-UHFFFAOYSA-N
XLogP5.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one (CID 50904505) is 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1.
What is the InChIKey of 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The InChIKey is QHVSQUYCVUHYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3.
What are the key properties of 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one?
5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one has a molecular weight of 416.86 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 50904505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).