3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one

C13H15ClN2O — CID 169085173

IUPAC3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C13H15ClN2O/c1-16-7-8-2-3-9(14)4-11(8)13(12(16)17)5-10(15)6-13/h2-4,10H,5-7,15H2,1H3
InChIKeyFMOGPCRGIVBULS-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.67
Rot. Bonds

About 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one

3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (PubChem CID 169085173) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
PubChem CID169085173
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C13H15ClN2O/c1-16-7-8-2-3-9(14)4-11(8)13(12(16)17)5-10(15)6-13/h2-4,10H,5-7,15H2,1H3
InChIKeyFMOGPCRGIVBULS-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The IUPAC name of 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (CID 169085173) is 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.
What is the SMILES notation for 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The canonical SMILES for 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is CN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O.
What is the InChIKey of 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The InChIKey is FMOGPCRGIVBULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16-7-8-2-3-9(14)4-11(8)13(12(16)17)5-10(15)6-13/h2-4,10H,5-7,15H2,1H3.
What are the key properties of 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one has a molecular weight of 250.73 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-amino-6-chloro-2-methylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is sourced from PubChem (CID 169085173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).