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

C21H16N4O2 — CID 136647726

IUPAC9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cnccc1-c1cccc2c(N)c3c(O)n(C4=CC=C4)cc3nc12
InChIInChI=1S/C21H16N4O2/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/h2-11,26H,22H2,1H3
InChIKeyDAYGISKMQIMQMG-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.96
Rot. Bonds3

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

9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136647726) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136647726
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cnccc1-c1cccc2c(N)c3c(O)n(C4=CC=C4)cc3nc12
InChIInChI=1S/C21H16N4O2/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/h2-11,26H,22H2,1H3
InChIKeyDAYGISKMQIMQMG-UHFFFAOYSA-N
XLogP3.96
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-amino-2-(cyclobutadienyl)-5-(6-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136597958
9-amino-2-(cyclobutadienyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136658354
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-fluoro-3-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136650959
2-[9-amino-2-(cyclobutadienyl)-1-hydroxypyrrolo[3,4-b]quinolin-5-yl]benzonitrile
CID 136653565
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
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136622323

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136647726) is 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is COc1cnccc1-c1cccc2c(N)c3c(O)n(C4=CC=C4)cc3nc12.
What is the InChIKey of 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is DAYGISKMQIMQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/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/h2-11,26H,22H2,1H3.
What are the key properties of 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 356.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136647726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).