3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline

C24H26N2O — CID 71154306

IUPAC3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline
SMILESCC(C)N1C[C@@H]2C(COc3ccc(-c4cnc5ccccc5c4)cc3)[C@@H]2C1
InChIInChI=1S/C24H26N2O/c1-16(2)26-13-21-22(14-26)23(21)15-27-20-9-7-17(8-10-20)19-11-18-5-3-4-6-24(18)25-12-19/h3-12,16,21-23H,13-15H2,1-2H3/t21-,22+,23?
InChIKeyBNFFONBFGOQPDP-AIZNXBIQSA-N
MW358.49 g/mol
LogP4.87
Rot. Bonds5

About 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline

3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline (PubChem CID 71154306) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline
PubChem CID71154306
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline
SMILESCC(C)N1C[C@@H]2C(COc3ccc(-c4cnc5ccccc5c4)cc3)[C@@H]2C1
InChIInChI=1S/C24H26N2O/c1-16(2)26-13-21-22(14-26)23(21)15-27-20-9-7-17(8-10-20)19-11-18-5-3-4-6-24(18)25-12-19/h3-12,16,21-23H,13-15H2,1-2H3/t21-,22+,23?
InChIKeyBNFFONBFGOQPDP-AIZNXBIQSA-N
XLogP4.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline?
The IUPAC name of 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline (CID 71154306) is 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline.
What is the SMILES notation for 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline?
The canonical SMILES for 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline is CC(C)N1C[C@@H]2C(COc3ccc(-c4cnc5ccccc5c4)cc3)[C@@H]2C1.
What is the InChIKey of 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline?
The InChIKey is BNFFONBFGOQPDP-AIZNXBIQSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16(2)26-13-21-22(14-26)23(21)15-27-20-9-7-17(8-10-20)19-11-18-5-3-4-6-24(18)25-12-19/h3-12,16,21-23H,13-15H2,1-2H3/t21-,22+,23?.
What are the key properties of 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline?
3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline has a molecular weight of 358.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline is sourced from PubChem (CID 71154306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).