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

C21H20N4O2 — CID 136613315

IUPAC9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cnccc1-c1cccc2c(N)c3c(O)n(C4CCC4)cc3nc12
InChIInChI=1S/C21H20N4O2/c1-27-17-10-23-9-8-13(17)14-6-3-7-15-19(22)18-16(24-20(14)15)11-25(21(18)26)12-4-2-5-12/h3,6-12,26H,2,4-5,22H2,1H3
InChIKeyPEPKGBRGHNTFFP-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.27
Rot. Bonds3

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

9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136613315) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136613315
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cnccc1-c1cccc2c(N)c3c(O)n(C4CCC4)cc3nc12
InChIInChI=1S/C21H20N4O2/c1-27-17-10-23-9-8-13(17)14-6-3-7-15-19(22)18-16(24-20(14)15)11-25(21(18)26)12-4-2-5-12/h3,6-12,26H,2,4-5,22H2,1H3
InChIKeyPEPKGBRGHNTFFP-UHFFFAOYSA-N
XLogP4.27
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol with MolForge

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Related Compounds

9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
CID 136648025
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136647726
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
CID 136650584
9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613450
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485761
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136613315) is 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is COc1cnccc1-c1cccc2c(N)c3c(O)n(C4CCC4)cc3nc12.
What is the InChIKey of 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is PEPKGBRGHNTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-17-10-23-9-8-13(17)14-6-3-7-15-19(22)18-16(24-20(14)15)11-25(21(18)26)12-4-2-5-12/h3,6-12,26H,2,4-5,22H2,1H3.
What are the key properties of 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 360.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136613315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).