N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine

C17H25N3O — CID 62288336

IUPACN-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
SMILESCCCNCc1cc(N(C)CCOC)nc2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(20(2)10-11-21-3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyPDDKRXOGWRIFBZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.82
Rot. Bonds8

About N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine

N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine (PubChem CID 62288336) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
PubChem CID62288336
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
SMILESCCCNCc1cc(N(C)CCOC)nc2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(20(2)10-11-21-3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyPDDKRXOGWRIFBZ-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
2-[2-methoxyethyl(methyl)amino]quinoline-4-carbothioamide
CID 63885735
4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
CID 63008304
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701145
N-[(2-imidazol-1-ylquinolin-4-yl)methyl]propan-1-amine
CID 62293978
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 63010016

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine (CID 62288336) is N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine is CCCNCc1cc(N(C)CCOC)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine?
The InChIKey is PDDKRXOGWRIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(20(2)10-11-21-3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine?
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine is sourced from PubChem (CID 62288336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).