5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione

C17H19N3O2 — CID 156773342

IUPAC5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCc1ccc2c3c(nc(NC(C)(C)C)c2c1)C(=O)N(C)C3=O
InChIInChI=1S/C17H19N3O2/c1-9-6-7-10-11(8-9)14(19-17(2,3)4)18-13-12(10)15(21)20(5)16(13)22/h6-8H,1-5H3,(H,18,19)
InChIKeyJGRYLGJUGVVJLT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.98
Rot. Bonds1

About 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione

5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione (PubChem CID 156773342) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione
PubChem CID156773342
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCc1ccc2c3c(nc(NC(C)(C)C)c2c1)C(=O)N(C)C3=O
InChIInChI=1S/C17H19N3O2/c1-9-6-7-10-11(8-9)14(19-17(2,3)4)18-13-12(10)15(21)20(5)16(13)22/h6-8H,1-5H3,(H,18,19)
InChIKeyJGRYLGJUGVVJLT-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione with MolForge

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Related Compounds

N-tert-butyl-3,4-bis(4-methylphenyl)isoquinolin-1-amine
CID 122214707
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
2,4,6-trimethylisoquinolin-1-one
CID 59073854
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 10469450
N-tert-butyl-6-methyl-4-(4-methylphenyl)quinolin-2-amine
CID 122214106
4-tert-butyl-2,6-dimethylisoquinolin-1-one
CID 115063422
9-tert-butyl-3,6-dimethylacridine
CID 159242363
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine
CID 82572310
N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
CID 14585474
3,6-dimethylpyrrolo[3,4-b]pyridine-5,7-dione
CID 19352217

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The IUPAC name of 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione (CID 156773342) is 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione.
What is the SMILES notation for 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The canonical SMILES for 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione is Cc1ccc2c3c(nc(NC(C)(C)C)c2c1)C(=O)N(C)C3=O.
What is the InChIKey of 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione?
The InChIKey is JGRYLGJUGVVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-9-6-7-10-11(8-9)14(19-17(2,3)4)18-13-12(10)15(21)20(5)16(13)22/h6-8H,1-5H3,(H,18,19).
What are the key properties of 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione?
5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione has a molecular weight of 297.36 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-2,7-dimethylpyrrolo[3,4-c]isoquinoline-1,3-dione is sourced from PubChem (CID 156773342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).