9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C23H24N4O3 — CID 67486972

IUPAC9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4=O)c(OC)n1
InChIInChI=1S/C23H24N4O3/c1-29-18-11-10-15(22(26-18)30-2)14-8-5-9-16-20(24)19-17(25-21(14)16)12-27(23(19)28)13-6-3-4-7-13/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H2,24,25)
InChIKeyKHLPWRZWTIYYOW-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.79
Rot. Bonds4

About 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67486972) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67486972
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4=O)c(OC)n1
InChIInChI=1S/C23H24N4O3/c1-29-18-11-10-15(22(26-18)30-2)14-8-5-9-16-20(24)19-17(25-21(14)16)12-27(23(19)28)13-6-3-4-7-13/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H2,24,25)
InChIKeyKHLPWRZWTIYYOW-UHFFFAOYSA-N
XLogP3.79
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67486972) is 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4=O)c(OC)n1.
What is the InChIKey of 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is KHLPWRZWTIYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-18-11-10-15(22(26-18)30-2)14-8-5-9-16-20(24)19-17(25-21(14)16)12-27(23(19)28)13-6-3-4-7-13/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H2,24,25).
What are the key properties of 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 404.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).