9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol

C24H19FN4O2 — CID 136622323

IUPAC9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(Cn2cc3nc4c(-c5cccnc5F)cccc4c(N)c3c2O)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-15-9-7-14(8-10-15)12-29-13-19-20(24(29)30)21(26)18-5-2-4-16(22(18)28-19)17-6-3-11-27-23(17)25/h2-11,13,30H,12,26H2,1H3
InChIKeyUJPCQUDTUNSUHA-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.74
Rot. Bonds4

About 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136622323) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136622323
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(Cn2cc3nc4c(-c5cccnc5F)cccc4c(N)c3c2O)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-15-9-7-14(8-10-15)12-29-13-19-20(24(29)30)21(26)18-5-2-4-16(22(18)28-19)17-6-3-11-27-23(17)25/h2-11,13,30H,12,26H2,1H3
InChIKeyUJPCQUDTUNSUHA-UHFFFAOYSA-N
XLogP4.74
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]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-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
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-(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
7-[(4-fluorophenyl)methyl]-5-methoxypyrrolo[3,4-g]quinoline-8,9-diol
CID 91489906
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
7-[(4-fluorophenyl)methyl]-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-g]quinoline-8,9-diol
CID 91558422
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-benzhydryloxy-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
CID 91384854
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136647726

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol (CID 136622323) is 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol is COc1ccc(Cn2cc3nc4c(-c5cccnc5F)cccc4c(N)c3c2O)cc1.
What is the InChIKey of 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is UJPCQUDTUNSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-31-15-9-7-14(8-10-15)12-29-13-19-20(24(29)30)21(26)18-5-2-4-16(22(18)28-19)17-6-3-11-27-23(17)25/h2-11,13,30H,12,26H2,1H3.
What are the key properties of 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 414.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136622323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).