N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C17H23N3O — CID 106024171

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCOc1cccc2ccc(CNCC3CCCN3C)nc12
InChIInChI=1S/C17H23N3O/c1-20-10-4-6-15(20)12-18-11-14-9-8-13-5-3-7-16(21-2)17(13)19-14/h3,5,7-9,15,18H,4,6,10-12H2,1-2H3
InChIKeyXXPNXYTVNISWOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds5

About N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 106024171) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID106024171
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCOc1cccc2ccc(CNCC3CCCN3C)nc12
InChIInChI=1S/C17H23N3O/c1-20-10-4-6-15(20)12-18-11-14-9-8-13-5-3-7-16(21-2)17(13)19-14/h3,5,7-9,15,18H,4,6,10-12H2,1-2H3
InChIKeyXXPNXYTVNISWOR-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417660
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
N-[(8-methoxyquinolin-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 80701799
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 106024171) is N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is COc1cccc2ccc(CNCC3CCCN3C)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is XXPNXYTVNISWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-10-4-6-15(20)12-18-11-14-9-8-13-5-3-7-16(21-2)17(13)19-14/h3,5,7-9,15,18H,4,6,10-12H2,1-2H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 106024171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).