9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol

C21H17F2N3O2 — CID 136613450

IUPAC9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(F)cc1-c1c(F)ccc2c(N)c3c(O)n(C4CC4)cc3nc12
InChIInChI=1S/C21H17F2N3O2/c1-28-16-7-2-10(22)8-13(16)17-14(23)6-5-12-19(24)18-15(25-20(12)17)9-26(21(18)27)11-3-4-11/h2,5-9,11,27H,3-4,24H2,1H3
InChIKeyQKTAPBNRZDERHH-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.77
Rot. Bonds3

About 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol

9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136613450) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136613450
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(F)cc1-c1c(F)ccc2c(N)c3c(O)n(C4CC4)cc3nc12
InChIInChI=1S/C21H17F2N3O2/c1-28-16-7-2-10(22)8-13(16)17-14(23)6-5-12-19(24)18-15(25-20(12)17)9-26(21(18)27)11-3-4-11/h2,5-9,11,27H,3-4,24H2,1H3
InChIKeyQKTAPBNRZDERHH-UHFFFAOYSA-N
XLogP4.77
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-fluoro-3-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136650959
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
CID 136650584
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
9-amino-5-(2,4-dimethoxypyrimidin-5-yl)-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136641035
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
CID 136648025
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136613450) is 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol is COc1ccc(F)cc1-c1c(F)ccc2c(N)c3c(O)n(C4CC4)cc3nc12.
What is the InChIKey of 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is QKTAPBNRZDERHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-28-16-7-2-10(22)8-13(16)17-14(23)6-5-12-19(24)18-15(25-20(12)17)9-26(21(18)27)11-3-4-11/h2,5-9,11,27H,3-4,24H2,1H3.
What are the key properties of 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 381.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136613450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).