2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine

C20H27N3O — CID 91838572

IUPAC2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)CCN2C[C@H]3CC[C@@H]2C3)c2cccnc12
InChIInChI=1S/C20H27N3O/c1-22(10-11-23-13-15-5-7-17(23)12-15)14-16-6-8-19(24-2)20-18(16)4-3-9-21-20/h3-4,6,8-9,15,17H,5,7,10-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyGXQHEMSMCVPCHL-DOTOQJQBSA-N
MW325.46 g/mol
LogP3.16
Rot. Bonds6

About 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine (PubChem CID 91838572) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine
PubChem CID91838572
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)CCN2C[C@H]3CC[C@@H]2C3)c2cccnc12
InChIInChI=1S/C20H27N3O/c1-22(10-11-23-13-15-5-7-17(23)12-15)14-16-6-8-19(24-2)20-18(16)4-3-9-21-20/h3-4,6,8-9,15,17H,5,7,10-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyGXQHEMSMCVPCHL-DOTOQJQBSA-N
XLogP3.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine with MolForge

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Related Compounds

3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895054
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 122568329
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74235153
[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62469705
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62470342

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine (CID 91838572) is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine is COc1ccc(CN(C)CCN2C[C@H]3CC[C@@H]2C3)c2cccnc12.
What is the InChIKey of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine?
The InChIKey is GXQHEMSMCVPCHL-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(10-11-23-13-15-5-7-17(23)12-15)14-16-6-8-19(24-2)20-18(16)4-3-9-21-20/h3-4,6,8-9,15,17H,5,7,10-14H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine?
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine has a molecular weight of 325.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 91838572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).