(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one

C17H18N2O — CID 73426764

IUPAC(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
SMILESC[C@]12CCCC[C@H]1N(c1cccc3cccnc13)C2=O
InChIInChI=1S/C17H18N2O/c1-17-10-3-2-9-14(17)19(16(17)20)13-8-4-6-12-7-5-11-18-15(12)13/h4-8,11,14H,2-3,9-10H2,1H3/t14-,17+/m1/s1
InChIKeyVFXIZEHLBRLVMA-PBHICJAKSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds1

About (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one

(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one (PubChem CID 73426764) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
PubChem CID73426764
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
SMILESC[C@]12CCCC[C@H]1N(c1cccc3cccnc13)C2=O
InChIInChI=1S/C17H18N2O/c1-17-10-3-2-9-14(17)19(16(17)20)13-8-4-6-12-7-5-11-18-15(12)13/h4-8,11,14H,2-3,9-10H2,1H3/t14-,17+/m1/s1
InChIKeyVFXIZEHLBRLVMA-PBHICJAKSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one with MolForge

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Launch Full Analysis

Related Compounds

2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one
CID 102141630
4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
CID 134847462
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
CID 73426556
(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one
CID 73426869
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
ethyl 3-methyl-2,5-dioxo-1-quinolin-8-ylpyrrolidine-3-carboxylate
CID 177471815
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one (CID 73426764) is (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one is C[C@]12CCCC[C@H]1N(c1cccc3cccnc13)C2=O.
What is the InChIKey of (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one?
The InChIKey is VFXIZEHLBRLVMA-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17-10-3-2-9-14(17)19(16(17)20)13-8-4-6-12-7-5-11-18-15(12)13/h4-8,11,14H,2-3,9-10H2,1H3/t14-,17+/m1/s1.
What are the key properties of (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one?
(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one has a molecular weight of 266.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 73426764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).