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

C21H20FN3O2 — CID 136648303

IUPAC9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4ccc(OC)cc4F)cccc3c(N)c2c1O
InChIInChI=1S/C21H20FN3O2/c1-3-9-25-11-17-18(21(25)26)19(23)15-6-4-5-14(20(15)24-17)13-8-7-12(27-2)10-16(13)22/h4-8,10-11,26H,3,9,23H2,1-2H3
InChIKeyDEJTUNSDXVHDGF-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.70
Rot. Bonds4

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

9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136648303) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136648303
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4ccc(OC)cc4F)cccc3c(N)c2c1O
InChIInChI=1S/C21H20FN3O2/c1-3-9-25-11-17-18(21(25)26)19(23)15-6-4-5-14(20(15)24-17)13-8-7-12(27-2)10-16(13)22/h4-8,10-11,26H,3,9,23H2,1-2H3
InChIKeyDEJTUNSDXVHDGF-UHFFFAOYSA-N
XLogP4.70
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
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-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-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136622323
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
CID 136655135
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
9-amino-2-(cyclobutadienyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136658354
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-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (CID 136648303) is 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is CCCn1cc2nc3c(-c4ccc(OC)cc4F)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is DEJTUNSDXVHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-9-25-11-17-18(21(25)26)19(23)15-6-4-5-14(20(15)24-17)13-8-7-12(27-2)10-16(13)22/h4-8,10-11,26H,3,9,23H2,1-2H3.
What are the key properties of 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 365.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136648303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).