9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one

C19H25N3O — CID 54583333

IUPAC9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCCN1Cc2nc3c(CC(C)(C)C)cccc3c(N)c2C1=O
InChIInChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21)
InChIKeyJEUGTSHICBOMGA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds3

About 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 54583333) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID54583333
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCCN1Cc2nc3c(CC(C)(C)C)cccc3c(N)c2C1=O
InChIInChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21)
InChIKeyJEUGTSHICBOMGA-UHFFFAOYSA-N
XLogP3.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 54583333) is 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one is CCCN1Cc2nc3c(CC(C)(C)C)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is JEUGTSHICBOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21).
What are the key properties of 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,2-dimethylpropyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 54583333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).