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

C22H22N4O3 — CID 136649756

IUPAC9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(OC)n1
InChIInChI=1S/C22H22N4O3/c1-28-17-10-9-14(21(25-17)29-2)13-7-4-8-15-19(23)18-16(24-20(13)15)11-26(22(18)27)12-5-3-6-12/h4,7-12,27H,3,5-6,23H2,1-2H3
InChIKeyBRIGSUPKZYHJCH-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.28
Rot. Bonds4

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

9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136649756) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136649756
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(OC)n1
InChIInChI=1S/C22H22N4O3/c1-28-17-10-9-14(21(25-17)29-2)13-7-4-8-15-19(23)18-16(24-20(13)15)11-26(22(18)27)12-5-3-6-12/h4,7-12,27H,3,5-6,23H2,1-2H3
InChIKeyBRIGSUPKZYHJCH-UHFFFAOYSA-N
XLogP4.28
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
CID 136650584
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67486972
9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25130340
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-(6-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136597958

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136649756) is 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is COc1ccc(-c2cccc3c(N)c4c(O)n(C5CCC5)cc4nc23)c(OC)n1.
What is the InChIKey of 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is BRIGSUPKZYHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-17-10-9-14(21(25-17)29-2)13-7-4-8-15-19(23)18-16(24-20(13)15)11-26(22(18)27)12-5-3-6-12/h4,7-12,27H,3,5-6,23H2,1-2H3.
What are the key properties of 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 390.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136649756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).