4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine

C19H19Cl2N3O — CID 21094603

IUPAC4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN1CCOCC1
InChIInChI=1S/C19H19Cl2N3O/c1-23-18(12-24-7-9-25-10-8-24)16-4-2-3-15(19(16)22-23)14-6-5-13(20)11-17(14)21/h2-6,11H,7-10,12H2,1H3
InChIKeyYBBVBLGYHOCFMN-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.38
Rot. Bonds3

About 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine

4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine (PubChem CID 21094603) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
PubChem CID21094603
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN1CCOCC1
InChIInChI=1S/C19H19Cl2N3O/c1-23-18(12-24-7-9-25-10-8-24)16-4-2-3-15(19(16)22-23)14-6-5-13(20)11-17(14)21/h2-6,11H,7-10,12H2,1H3
InChIKeyYBBVBLGYHOCFMN-UHFFFAOYSA-N
XLogP4.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine (CID 21094603) is 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN1CCOCC1.
What is the InChIKey of 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine?
The InChIKey is YBBVBLGYHOCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-23-18(12-24-7-9-25-10-8-24)16-4-2-3-15(19(16)22-23)14-6-5-13(20)11-17(14)21/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine?
4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine has a molecular weight of 376.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine is sourced from PubChem (CID 21094603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).