8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one

C16H16ClN3O — CID 169194663

IUPAC8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
SMILESCc1nnc(Cl)c2cc3c(cc12)C1(CCCC1)C(=O)N3C
InChIInChI=1S/C16H16ClN3O/c1-9-10-7-12-13(8-11(10)14(17)19-18-9)20(2)15(21)16(12)5-3-4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyHLSBXYIUCSQRBL-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.38
Rot. Bonds

About 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one

8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one (PubChem CID 169194663) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one.

Molecular Properties

Compound Name8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
PubChem CID169194663
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
SMILESCc1nnc(Cl)c2cc3c(cc12)C1(CCCC1)C(=O)N3C
InChIInChI=1S/C16H16ClN3O/c1-9-10-7-12-13(8-11(10)14(17)19-18-9)20(2)15(21)16(12)5-3-4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyHLSBXYIUCSQRBL-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8'-chloro-1',5'-dimethylspiro[oxane-4,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 167311043
5-chloro-3-methoxy-1,3,8-trimethylpyrrolo[2,3-g]phthalazin-2-one
CID 169194583
8-chloro-3-ethoxy-1,3,5-trimethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194624
1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione
CID 167310769
8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 167311008
8'-[[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-5-fluorophenyl]ethyl]amino]-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194724
8'-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)phenyl]ethyl]amino]-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194694
8-chloro-1-ethyl-3-methoxy-3,5-dimethylpyrrolo[3,2-g]phthalazin-2-one
CID 169194711
6'-chloro-9'-methyl-4'-propan-2-ylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
CID 169194902
8'-[[(1R)-1-[3-(1,1-difluoroethyl)phenyl]ethyl]amino]-1',5'-dimethylspiro[oxane-4,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194697
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534
methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
CID 156538049

Frequently Asked Questions

What is the IUPAC name of 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The IUPAC name of 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one (CID 169194663) is 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one.
What is the SMILES notation for 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The canonical SMILES for 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one is Cc1nnc(Cl)c2cc3c(cc12)C1(CCCC1)C(=O)N3C.
What is the InChIKey of 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The InChIKey is HLSBXYIUCSQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-9-10-7-12-13(8-11(10)14(17)19-18-9)20(2)15(21)16(12)5-3-4-6-16/h7-8H,3-6H2,1-2H3.
What are the key properties of 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one has a molecular weight of 301.78 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one is sourced from PubChem (CID 169194663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).