9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol

C22H22N4O2 — CID 136510288

IUPAC9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C)n1
InChIInChI=1S/C22H22N4O2/c1-12-14(9-10-18(24-12)28-2)15-7-4-8-16-20(23)19-17(25-21(15)16)11-26(22(19)27)13-5-3-6-13/h4,7-11,13,27H,3,5-6,23H2,1-2H3
InChIKeyDFRXQLOLIVYPIF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.58
Rot. Bonds3

About 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol

9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136510288) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136510288
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C)n1
InChIInChI=1S/C22H22N4O2/c1-12-14(9-10-18(24-12)28-2)15-7-4-8-16-20(23)19-17(25-21(15)16)11-26(22(19)27)13-5-3-6-13/h4,7-11,13,27H,3,5-6,23H2,1-2H3
InChIKeyDFRXQLOLIVYPIF-UHFFFAOYSA-N
XLogP4.58
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136510288) is 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is COc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C)n1.
What is the InChIKey of 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is DFRXQLOLIVYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-12-14(9-10-18(24-12)28-2)15-7-4-8-16-20(23)19-17(25-21(15)16)11-26(22(19)27)13-5-3-6-13/h4,7-11,13,27H,3,5-6,23H2,1-2H3.
What are the key properties of 9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclobutyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 374.44 g/mol, XLogP of 4.58, 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-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136510288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).