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

C15H19ClN2O — CID 156741912

IUPAC3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCC(C)N1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C15H19ClN2O/c1-9(2)18-8-10-3-4-11(16)5-13(10)15(14(18)19)6-12(17)7-15/h3-5,9,12H,6-8,17H2,1-2H3
InChIKeyLPZWERLUOZSXER-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.45
Rot. Bonds1

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

3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (PubChem CID 156741912) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
PubChem CID156741912
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one
SMILESCC(C)N1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O
InChIInChI=1S/C15H19ClN2O/c1-9(2)18-8-10-3-4-11(16)5-13(10)15(14(18)19)6-12(17)7-15/h3-5,9,12H,6-8,17H2,1-2H3
InChIKeyLPZWERLUOZSXER-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 18672397
(R)-8-Chloro-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-6(2H)-one
CID 24826868
(R)-9-chloro-1,2,3,4,11,11a-hexahydro-pyrazino[1,2-b]isoquinolin-6-one
CID 58911604
1-(4-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone
CID 2818272
8-Chloro-10b-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9881419
N-[(1S)-1-[4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
CID 118940302
2-(6-chloro-2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)acetamide
CID 11777725
2-(3,4-dichlorophenyl)-1-[1-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 15697356
1-(3-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone
CID 4562359
7-Chloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
CID 71619417
N-(4-chlorobenzyl)-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 53147515
N-[(3-Chlorophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 53147525

Frequently Asked Questions

What is the IUPAC name of 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The IUPAC name of 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one (CID 156741912) is 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one.
What is the SMILES notation for 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The canonical SMILES for 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is CC(C)N1Cc2ccc(Cl)cc2C2(CC(N)C2)C1=O.
What is the InChIKey of 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
The InChIKey is LPZWERLUOZSXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-9(2)18-8-10-3-4-11(16)5-13(10)15(14(18)19)6-12(17)7-15/h3-5,9,12H,6-8,17H2,1-2H3.
What are the key properties of 3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one?
3'-amino-6-chloro-2-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one has a molecular weight of 278.78 g/mol, XLogP of 2.45, 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-propan-2-ylspiro[1H-isoquinoline-4,1'-cyclobutane]-3-one is sourced from PubChem (CID 156741912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).