4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile

C22H19N5O2 — CID 136650584

IUPAC4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C#N)cn1
InChIInChI=1S/C22H19N5O2/c1-29-18-8-16(12(9-23)10-25-18)14-6-3-7-15-20(24)19-17(26-21(14)15)11-27(22(19)28)13-4-2-5-13/h3,6-8,10-11,13,28H,2,4-5,24H2,1H3
InChIKeyVPHNFHWPLVWXNR-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.14
Rot. Bonds3

About 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile

4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile (PubChem CID 136650584) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
PubChem CID136650584
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C#N)cn1
InChIInChI=1S/C22H19N5O2/c1-29-18-8-16(12(9-23)10-25-18)14-6-3-7-15-20(24)19-17(26-21(14)15)11-27(22(19)28)13-4-2-5-13/h3,6-8,10-11,13,28H,2,4-5,24H2,1H3
InChIKeyVPHNFHWPLVWXNR-UHFFFAOYSA-N
XLogP4.14
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile with MolForge

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Related Compounds

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-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
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-(cyclobutadienyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136658354
9-amino-2-(cyclobutadienyl)-5-(6-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136597958
2-[9-amino-2-(cyclobutadienyl)-1-hydroxypyrrolo[3,4-b]quinolin-5-yl]benzonitrile
CID 136653565
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303

Frequently Asked Questions

What is the IUPAC name of 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile (CID 136650584) is 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile is COc1cc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(C#N)cn1.
What is the InChIKey of 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile?
The InChIKey is VPHNFHWPLVWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-18-8-16(12(9-23)10-25-18)14-6-3-7-15-20(24)19-17(26-21(14)15)11-27(22(19)28)13-4-2-5-13/h3,6-8,10-11,13,28H,2,4-5,24H2,1H3.
What are the key properties of 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile?
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 136650584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).