6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one

C20H24FN3O2 — CID 70705153

IUPAC6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2
InChIInChI=1S/C20H24FN3O2/c1-2-7-23-10-13-3-5-15(23)12-24(11-13)20(26)17-9-19(25)22-18-6-4-14(21)8-16(17)18/h4,6,8-9,13,15H,2-3,5,7,10-12H2,1H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyBUHGTUSILBLZFU-UKRRQHHQSA-N
MW357.43 g/mol
LogP2.61
Rot. Bonds3

About 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one

6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one (PubChem CID 70705153) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
PubChem CID70705153
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2
InChIInChI=1S/C20H24FN3O2/c1-2-7-23-10-13-3-5-15(23)12-24(11-13)20(26)17-9-19(25)22-18-6-4-14(21)8-16(17)18/h4,6,8-9,13,15H,2-3,5,7,10-12H2,1H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyBUHGTUSILBLZFU-UKRRQHHQSA-N
XLogP2.61
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one (CID 70705153) is 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one is CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2.
What is the InChIKey of 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one?
The InChIKey is BUHGTUSILBLZFU-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-7-23-10-13-3-5-15(23)12-24(11-13)20(26)17-9-19(25)22-18-6-4-14(21)8-16(17)18/h4,6,8-9,13,15H,2-3,5,7,10-12H2,1H3,(H,22,25)/t13-,15-/m1/s1.
What are the key properties of 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one?
6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 70705153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).