9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol

C12H10BrN3O — CID 136644831

IUPAC9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
SMILESCn1cc2nc3c(Br)cccc3c(N)c2c1O
InChIInChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-5,17H,14H2,1H3
InChIKeyVPGJFOLXJJGMSP-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.78
Rot. Bonds

About 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136644831) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136644831
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
SMILESCn1cc2nc3c(Br)cccc3c(N)c2c1O
InChIInChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-5,17H,14H2,1H3
InChIKeyVPGJFOLXJJGMSP-UHFFFAOYSA-N
XLogP2.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-5-bromo-2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136596591
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
CID 136655135
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
CID 135977782
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485495
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
2-[9-amino-2-(cyclobutadienyl)-1-hydroxypyrrolo[3,4-b]quinolin-5-yl]benzonitrile
CID 136653565
7-bromo-2-methylindazole;ethane
CID 155591280

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol (CID 136644831) is 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol is Cn1cc2nc3c(Br)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is VPGJFOLXJJGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-5,17H,14H2,1H3.
What are the key properties of 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 292.14 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136644831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).