N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine

C18H24N2O — CID 79609369

IUPACN-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccnc2ccccc12
InChIInChI=1S/C18H24N2O/c1-15(6-5-10-19-12-13-21-2)14-16-9-11-20-18-8-4-3-7-17(16)18/h3-4,6-9,11,19H,5,10,12-14H2,1-2H3
InChIKeyPBTDPRWFROIVIJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.35
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine

N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine (PubChem CID 79609369) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
PubChem CID79609369
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccnc2ccccc12
InChIInChI=1S/C18H24N2O/c1-15(6-5-10-19-12-13-21-2)14-16-9-11-20-18-8-4-3-7-17(16)18/h3-4,6-9,11,19H,5,10,12-14H2,1-2H3
InChIKeyPBTDPRWFROIVIJ-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(2-methoxyethyl)-4-methyl-5-pyridin-4-ylpent-3-en-1-amine
CID 79606913
4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79607063
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
N-propyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79592748
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607658
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine (CID 79609369) is N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine is COCCNCCC=C(C)Cc1ccnc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine?
The InChIKey is PBTDPRWFROIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(6-5-10-19-12-13-21-2)14-16-9-11-20-18-8-4-3-7-17(16)18/h3-4,6-9,11,19H,5,10,12-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine?
N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine is sourced from PubChem (CID 79609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).