9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol

C21H21N3O — CID 136655135

IUPAC9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(-c4cc(C)cc(C)c4)cccc3c(N)c2c1O
InChIInChI=1S/C21H21N3O/c1-4-24-11-17-18(21(24)25)19(22)16-7-5-6-15(20(16)23-17)14-9-12(2)8-13(3)10-14/h5-11,25H,4,22H2,1-3H3
InChIKeyQDRHIFULUQLUDK-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.78
Rot. Bonds2

About 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136655135) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136655135
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(-c4cc(C)cc(C)c4)cccc3c(N)c2c1O
InChIInChI=1S/C21H21N3O/c1-4-24-11-17-18(21(24)25)19(22)16-7-5-6-15(20(16)23-17)14-9-12(2)8-13(3)10-14/h5-11,25H,4,22H2,1-3H3
InChIKeyQDRHIFULUQLUDK-UHFFFAOYSA-N
XLogP4.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136655240
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136644831
9-amino-2-(cyclobutadienyl)-5-(6-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136597958
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
2-[9-amino-2-(cyclobutadienyl)-1-hydroxypyrrolo[3,4-b]quinolin-5-yl]benzonitrile
CID 136653565

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol (CID 136655135) is 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol is CCn1cc2nc3c(-c4cc(C)cc(C)c4)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is QDRHIFULUQLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-4-24-11-17-18(21(24)25)19(22)16-7-5-6-15(20(16)23-17)14-9-12(2)8-13(3)10-14/h5-11,25H,4,22H2,1-3H3.
What are the key properties of 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 331.42 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136655135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).