(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C23H27N5O2 — CID 140938521

IUPAC(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ccc2nc(N3C[C@@H]4C(NC5CCOCC5)[C@@H]4C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H27N5O2/c1-13-3-4-20-15(9-13)10-17(23-24-14(2)27-30-23)22(26-20)28-11-18-19(12-28)21(18)25-16-5-7-29-8-6-16/h3-4,9-10,16,18-19,21,25H,5-8,11-12H2,1-2H3/t18-,19+,21?
InChIKeyWJPGDDYNQVKODL-PMSBKCLSSA-N
MW405.50 g/mol
LogP3.10
Rot. Bonds4

About (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 140938521) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID140938521
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ccc2nc(N3C[C@@H]4C(NC5CCOCC5)[C@@H]4C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H27N5O2/c1-13-3-4-20-15(9-13)10-17(23-24-14(2)27-30-23)22(26-20)28-11-18-19(12-28)21(18)25-16-5-7-29-8-6-16/h3-4,9-10,16,18-19,21,25H,5-8,11-12H2,1-2H3/t18-,19+,21?
InChIKeyWJPGDDYNQVKODL-PMSBKCLSSA-N
XLogP3.10
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine
CID 137434175
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434120
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434196
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434366
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434496
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 155527414
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
CID 155543816
trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 155551744
1-(6-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 118263805
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263857
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263892
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263923

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 140938521) is (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is Cc1ccc2nc(N3C[C@@H]4C(NC5CCOCC5)[C@@H]4C3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is WJPGDDYNQVKODL-PMSBKCLSSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13-3-4-20-15(9-13)10-17(23-24-14(2)27-30-23)22(26-20)28-11-18-19(12-28)21(18)25-16-5-7-29-8-6-16/h3-4,9-10,16,18-19,21,25H,5-8,11-12H2,1-2H3/t18-,19+,21?.
What are the key properties of (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 405.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 140938521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).