6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one

C14H12ClN3O2 — CID 169194730

IUPAC6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OC1(CC1)C(=O)N3C
InChIInChI=1S/C14H12ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(2)13(19)14(20-11)3-4-14/h5-6H,3-4H2,1-2H3
InChIKeyGBRIVVHPNSAALC-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.48
Rot. Bonds

About 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one

6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one (PubChem CID 169194730) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one.

Molecular Properties

Compound Name6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
PubChem CID169194730
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OC1(CC1)C(=O)N3C
InChIInChI=1S/C14H12ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(2)13(19)14(20-11)3-4-14/h5-6H,3-4H2,1-2H3
InChIKeyGBRIVVHPNSAALC-UHFFFAOYSA-N
XLogP2.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-3,8-dimethyl-[1,3]oxazolo[5,4-g]phthalazin-2-one
CID 167310757
6-Chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one
CID 167310862
5-Chloro-8-methyl-3-propan-2-yl-[1,3]oxazolo[5,4-g]phthalazin-2-one
CID 167310890
7-Chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one
CID 169194500
6'-Chloro-9'-methyl-4'-propan-2-ylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
CID 169194902
6-Chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one
CID 169194913
4-[4-Chloro-1-methyl-7-(7-phenylmethoxyheptoxy)phthalazin-6-yl]morpholine
CID 169313415

Frequently Asked Questions

What is the IUPAC name of 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one?
The IUPAC name of 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one (CID 169194730) is 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one.
What is the SMILES notation for 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one?
The canonical SMILES for 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one is Cc1nnc(Cl)c2cc3c(cc12)OC1(CC1)C(=O)N3C.
What is the InChIKey of 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one?
The InChIKey is GBRIVVHPNSAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(2)13(19)14(20-11)3-4-14/h5-6H,3-4H2,1-2H3.
What are the key properties of 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one?
6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one has a molecular weight of 289.72 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one is sourced from PubChem (CID 169194730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).