9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C21H20N4O2 — CID 25131330

IUPAC9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O
InChIInChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24)
InChIKeyNRBRKRZMKXLHTR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.40
Rot. Bonds3

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

9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 25131330) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID25131330
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O
InChIInChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24)
InChIKeyNRBRKRZMKXLHTR-UHFFFAOYSA-N
XLogP3.40
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 25131330) is 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O.
What is the InChIKey of 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is NRBRKRZMKXLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24).
What are the key properties of 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 360.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclobutyl-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 25131330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).