[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone

C18H18N2O — CID 99883768

IUPAC[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3[C@H]4CC=C[C@H]3CC4)c2n1
InChIInChI=1S/C18H18N2O/c1-12-8-9-13-4-2-7-16(17(13)19-12)18(21)20-14-5-3-6-15(20)11-10-14/h2-5,7-9,14-15H,6,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyQYGMLNYHZQUFCD-GJZGRUSLSA-N
MW278.36 g/mol
LogP3.48
Rot. Bonds1

About [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone

[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone (PubChem CID 99883768) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone
PubChem CID99883768
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3[C@H]4CC=C[C@H]3CC4)c2n1
InChIInChI=1S/C18H18N2O/c1-12-8-9-13-4-2-7-16(17(13)19-12)18(21)20-14-5-3-6-15(20)11-10-14/h2-5,7-9,14-15H,6,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyQYGMLNYHZQUFCD-GJZGRUSLSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone with MolForge

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
SB 222200
CID 6604009
Olinone
CID 91668531
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
Luotonin A
CID 10334120
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
SN-28049
CID 9862688
Rosettacin
CID 24813913
2,4-Dimethyl-pyrrolo[3,4-c]quinoline-1,3-dione
CID 706730
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
2-[4-[(Dimethylamino)methyl]phenyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 9797108

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone?
The IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone (CID 99883768) is [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone.
What is the SMILES notation for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone?
The canonical SMILES for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone is Cc1ccc2cccc(C(=O)N3[C@H]4CC=C[C@H]3CC4)c2n1.
What is the InChIKey of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone?
The InChIKey is QYGMLNYHZQUFCD-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-9-13-4-2-7-16(17(13)19-12)18(21)20-14-5-3-6-15(20)11-10-14/h2-5,7-9,14-15H,6,10-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone?
[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone is sourced from PubChem (CID 99883768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).