2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile

C23H20N4O — CID 59868314

IUPAC2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CCCC1)C3=O
InChIInChI=1S/C23H20N4O/c24-12-14-6-1-4-9-16(14)17-10-5-11-18-21(25)20-19(26-22(17)18)13-27(23(20)28)15-7-2-3-8-15/h1,4-6,9-11,15H,2-3,7-8,13H2,(H2,25,26)
InChIKeyJMTDQBAUPOIGFF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.25
Rot. Bonds2

About 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile

2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile (PubChem CID 59868314) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile.

Molecular Properties

Compound Name2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile
PubChem CID59868314
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CCCC1)C3=O
InChIInChI=1S/C23H20N4O/c24-12-14-6-1-4-9-16(14)17-10-5-11-18-21(25)20-19(26-22(17)18)13-27(23(20)28)15-7-2-3-8-15/h1,4-6,9-11,15H,2-3,7-8,13H2,(H2,25,26)
InChIKeyJMTDQBAUPOIGFF-UHFFFAOYSA-N
XLogP4.25
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile?
The IUPAC name of 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile (CID 59868314) is 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile.
What is the SMILES notation for 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile?
The canonical SMILES for 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile is N#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CCCC1)C3=O.
What is the InChIKey of 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile?
The InChIKey is JMTDQBAUPOIGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c24-12-14-6-1-4-9-16(14)17-10-5-11-18-21(25)20-19(26-22(17)18)13-27(23(20)28)15-7-2-3-8-15/h1,4-6,9-11,15H,2-3,7-8,13H2,(H2,25,26).
What are the key properties of 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile?
2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile is sourced from PubChem (CID 59868314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).