4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine

C14H16ClN3O — CID 62141546

IUPAC4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
SMILESCCC1CN(c2nnc(Cl)c3ccccc23)CCO1
InChIInChI=1S/C14H16ClN3O/c1-2-10-9-18(7-8-19-10)14-12-6-4-3-5-11(12)13(15)16-17-14/h3-6,10H,2,7-9H2,1H3
InChIKeyFQZMWPYGFJTMHC-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine

4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine (PubChem CID 62141546) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine.

Molecular Properties

Compound Name4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
PubChem CID62141546
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
SMILESCCC1CN(c2nnc(Cl)c3ccccc23)CCO1
InChIInChI=1S/C14H16ClN3O/c1-2-10-9-18(7-8-19-10)14-12-6-4-3-5-11(12)13(15)16-17-14/h3-6,10H,2,7-9H2,1H3
InChIKeyFQZMWPYGFJTMHC-UHFFFAOYSA-N
XLogP2.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine?
The IUPAC name of 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine (CID 62141546) is 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine.
What is the SMILES notation for 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine?
The canonical SMILES for 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine is CCC1CN(c2nnc(Cl)c3ccccc23)CCO1.
What is the InChIKey of 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine?
The InChIKey is FQZMWPYGFJTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-10-9-18(7-8-19-10)14-12-6-4-3-5-11(12)13(15)16-17-14/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine?
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine has a molecular weight of 277.75 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine is sourced from PubChem (CID 62141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).