8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one

C15H16ClN3O2 — CID 169194624

IUPAC8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
SMILESCCOC1(C)C(=O)N(C)c2cc3c(Cl)nnc(C)c3cc21
InChIInChI=1S/C15H16ClN3O2/c1-5-21-15(3)11-6-9-8(2)17-18-13(16)10(9)7-12(11)19(4)14(15)20/h6-7H,5H2,1-4H3
InChIKeyPMCJVSXNDDLHHW-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.82
Rot. Bonds2

About 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one

8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one (PubChem CID 169194624) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one.

Molecular Properties

Compound Name8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
PubChem CID169194624
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
SMILESCCOC1(C)C(=O)N(C)c2cc3c(Cl)nnc(C)c3cc21
InChIInChI=1S/C15H16ClN3O2/c1-5-21-15(3)11-6-9-8(2)17-18-13(16)10(9)7-12(11)19(4)14(15)20/h6-7H,5H2,1-4H3
InChIKeyPMCJVSXNDDLHHW-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one?
The IUPAC name of 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one (CID 169194624) is 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one.
What is the SMILES notation for 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one?
The canonical SMILES for 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one is CCOC1(C)C(=O)N(C)c2cc3c(Cl)nnc(C)c3cc21.
What is the InChIKey of 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one?
The InChIKey is PMCJVSXNDDLHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-5-21-15(3)11-6-9-8(2)17-18-13(16)10(9)7-12(11)19(4)14(15)20/h6-7H,5H2,1-4H3.
What are the key properties of 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one?
8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one has a molecular weight of 305.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one is sourced from PubChem (CID 169194624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).