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

C20H19BrN4O2 — CID 136647548

IUPAC9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(Br)cnc4OC)cccc3c(N)c2c1O
InChIInChI=1S/C20H19BrN4O2/c1-3-7-25-10-15-16(20(25)26)17(22)13-6-4-5-12(18(13)24-15)14-8-11(21)9-23-19(14)27-2/h4-6,8-10,26H,3,7,22H2,1-2H3
InChIKeyUBUYYUULFWEAAJ-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.72
Rot. Bonds4

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

9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136647548) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136647548
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(Br)cnc4OC)cccc3c(N)c2c1O
InChIInChI=1S/C20H19BrN4O2/c1-3-7-25-10-15-16(20(25)26)17(22)13-6-4-5-12(18(13)24-15)14-8-11(21)9-23-19(14)27-2/h4-6,8-10,26H,3,7,22H2,1-2H3
InChIKeyUBUYYUULFWEAAJ-UHFFFAOYSA-N
XLogP4.72
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol with MolForge

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Related Compounds

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
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-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
CID 136655135
9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136622323
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
CID 136648025
9-amino-5-(2,4-dimethoxypyrimidin-5-yl)-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136641035
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-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136647726
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (CID 136647548) is 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is CCCn1cc2nc3c(-c4cc(Br)cnc4OC)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is UBUYYUULFWEAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-3-7-25-10-15-16(20(25)26)17(22)13-6-4-5-12(18(13)24-15)14-8-11(21)9-23-19(14)27-2/h4-6,8-10,26H,3,7,22H2,1-2H3.
What are the key properties of 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 427.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136647548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).