6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C16H18N2O2 — CID 64835545

IUPAC6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(c3ccc4c(c3)NCCC4)C(=O)C21
InChIInChI=1S/C16H18N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)10-6-5-9-4-3-7-17-11(9)8-10/h5-6,8,12-13,17H,3-4,7H2,1-2H3
InChIKeyKXIOZFYMDBXHLK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.19
Rot. Bonds1

About 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64835545) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64835545
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(c3ccc4c(c3)NCCC4)C(=O)C21
InChIInChI=1S/C16H18N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)10-6-5-9-4-3-7-17-11(9)8-10/h5-6,8,12-13,17H,3-4,7H2,1-2H3
InChIKeyKXIOZFYMDBXHLK-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Related Compounds

1'-(2-Methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 118739178
1'-[[4-(Dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134795547
N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)pentanamide
CID 7517441
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide
CID 7527158
N-(1-propanoyl-1,2,3,4-tetrahydroquinolin-7-yl)butanamide
CID 16835075
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)cyclohexanecarboxamide
CID 18578048
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-cyclopentylacetamide
CID 50832455
Sdccgsbi-0662789.P001
CID 134787873
1'-(Cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134790599
1'-(Cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134792521
1'-(Cyclopropanecarbonyl)spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one
CID 134793075
N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
CID 134793522

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64835545) is 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(c3ccc4c(c3)NCCC4)C(=O)C21.
What is the InChIKey of 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is KXIOZFYMDBXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)10-6-5-9-4-3-7-17-11(9)8-10/h5-6,8,12-13,17H,3-4,7H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64835545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).