8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one

C15H16ClN3O2 — CID 169194711

IUPAC8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one
SMILESCCN1C(=O)C(C)(OC)c2cc3c(C)nnc(Cl)c3cc21
InChIInChI=1S/C15H16ClN3O2/c1-5-19-12-7-10-9(8(2)17-18-13(10)16)6-11(12)15(3,21-4)14(19)20/h6-7H,5H2,1-4H3
InChIKeyBBZBJBNKJACEIG-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.82
Rot. Bonds2

About 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one

8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one (PubChem CID 169194711) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one.

Molecular Properties

Compound Name8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one
PubChem CID169194711
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one
SMILESCCN1C(=O)C(C)(OC)c2cc3c(C)nnc(Cl)c3cc21
InChIInChI=1S/C15H16ClN3O2/c1-5-19-12-7-10-9(8(2)17-18-13(10)16)6-11(12)15(3,21-4)14(19)20/h6-7H,5H2,1-4H3
InChIKeyBBZBJBNKJACEIG-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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Related Compounds

8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194624
8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194663
4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156537336
8'-chloro-1',5'-dimethylspiro[oxane-4,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 167311043
5-[[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)phenyl]ethyl]amino]-3-methoxy-1,3,8-trimethylpyrrolo[2,3-g]phthalazin-2-one
CID 169194911
6'-chloro-9'-methyl-4'-propan-2-ylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
CID 169194902
8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
CID 156548269
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
CID 70421420
2-(2-chloro-4-pyridinyl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300807
1-chloro-4-methylphthalazine;ethane;propane
CID 169259366
5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 141143468
8-[[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-methylphenyl]ethyl]amino]-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194923

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one?
The IUPAC name of 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one (CID 169194711) is 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one.
What is the SMILES notation for 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one?
The canonical SMILES for 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one is CCN1C(=O)C(C)(OC)c2cc3c(C)nnc(Cl)c3cc21.
What is the InChIKey of 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one?
The InChIKey is BBZBJBNKJACEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-5-19-12-7-10-9(8(2)17-18-13(10)16)6-11(12)15(3,21-4)14(19)20/h6-7H,5H2,1-4H3.
What are the key properties of 8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one?
8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[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-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one is sourced from PubChem (CID 169194711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).