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

C20H17F2N3O — CID 136630982

IUPAC9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(F)ccc4F)cccc3c(N)c2c1O
InChIInChI=1S/C20H17F2N3O/c1-2-8-25-10-16-17(20(25)26)18(23)13-5-3-4-12(19(13)24-16)14-9-11(21)6-7-15(14)22/h3-7,9-10,26H,2,8,23H2,1H3
InChIKeyBPBXADASRJMTRJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.83
Rot. Bonds3

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

9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136630982) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136630982
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(F)ccc4F)cccc3c(N)c2c1O
InChIInChI=1S/C20H17F2N3O/c1-2-8-25-10-16-17(20(25)26)18(23)13-5-3-4-12(19(13)24-16)14-9-11(21)6-7-15(14)22/h3-7,9-10,26H,2,8,23H2,1H3
InChIKeyBPBXADASRJMTRJ-UHFFFAOYSA-N
XLogP4.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[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-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136655240
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
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-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-(cyclobutadienyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136658354
9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
CID 135977782
9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136644831

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (CID 136630982) is 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is CCCn1cc2nc3c(-c4cc(F)ccc4F)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is BPBXADASRJMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-2-8-25-10-16-17(20(25)26)18(23)13-5-3-4-12(19(13)24-16)14-9-11(21)6-7-15(14)22/h3-7,9-10,26H,2,8,23H2,1H3.
What are the key properties of 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 353.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136630982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).