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

C14H17ClN2O — CID 156741918

IUPAC3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCCN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C14H17ClN2O/c1-2-17-8-9-3-4-10(15)5-12(9)14(13(17)18)6-11(16)7-14/h3-5,11H,2,6-8,16H2,1H3
InChIKeyZZAAIGWBKOOGCU-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.06
Rot. Bonds1

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

3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (PubChem CID 156741918) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
PubChem CID156741918
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCCN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C14H17ClN2O/c1-2-17-8-9-3-4-10(15)5-12(9)14(13(17)18)6-11(16)7-14/h3-5,11H,2,6-8,16H2,1H3
InChIKeyZZAAIGWBKOOGCU-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.06
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-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The IUPAC name of 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (CID 156741918) is 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.
What is the SMILES notation for 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The canonical SMILES for 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is CCN1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O.
What is the InChIKey of 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The InChIKey is ZZAAIGWBKOOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-17-8-9-3-4-10(15)5-12(9)14(13(17)18)6-11(16)7-14/h3-5,11H,2,6-8,16H2,1H3.
What are the key properties of 3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
3'-amino-6-chloro-2-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one has a molecular weight of 264.76 g/mol, XLogP of 2.06, 1 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-ethylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is sourced from PubChem (CID 156741918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).