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

C20H17FN4O — CID 136638620

IUPAC9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCc1ccc(-c2cccc3c(N)c4c(O)n(C5CC5)cc4nc23)c(F)n1
InChIInChI=1S/C20H17FN4O/c1-10-5-8-13(19(21)23-10)12-3-2-4-14-17(22)16-15(24-18(12)14)9-25(20(16)26)11-6-7-11/h2-5,8-9,11,26H,6-7,22H2,1H3
InChIKeySGFQOWJEWAHPAQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.32
Rot. Bonds2

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

9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136638620) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136638620
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCc1ccc(-c2cccc3c(N)c4c(O)n(C5CC5)cc4nc23)c(F)n1
InChIInChI=1S/C20H17FN4O/c1-10-5-8-13(19(21)23-10)12-3-2-4-14-17(22)16-15(24-18(12)14)9-25(20(16)26)11-6-7-11/h2-5,8-9,11,26H,6-7,22H2,1H3
InChIKeySGFQOWJEWAHPAQ-UHFFFAOYSA-N
XLogP4.32
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136638620) is 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is Cc1ccc(-c2cccc3c(N)c4c(O)n(C5CC5)cc4nc23)c(F)n1.
What is the InChIKey of 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is SGFQOWJEWAHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-10-5-8-13(19(21)23-10)12-3-2-4-14-17(22)16-15(24-18(12)14)9-25(20(16)26)11-6-7-11/h2-5,8-9,11,26H,6-7,22H2,1H3.
What are the key properties of 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 348.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136638620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).