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

C23H23N3O3 — CID 25131005

IUPAC9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1
InChIInChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25)
InChIKeyIPRPEMNPDVAAOU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.01
Rot. Bonds4

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

9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 25131005) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID25131005
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1
InChIInChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25)
InChIKeyIPRPEMNPDVAAOU-UHFFFAOYSA-N
XLogP4.01
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.01
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-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 25131005) is 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1.
What is the InChIKey of 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is IPRPEMNPDVAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25).
What are the key properties of 9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 389.46 g/mol, XLogP of 4.01, 4 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-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 25131005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).