N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine

C18H19N3O — CID 167841665

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
SMILESCOc1ccc(CNCCc2cccc3cccnc23)cn1
InChIInChI=1S/C18H19N3O/c1-22-17-8-7-14(13-21-17)12-19-11-9-16-5-2-4-15-6-3-10-20-18(15)16/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyFDMXKSGIGHMJFZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.97
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 167841665) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
PubChem CID167841665
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
SMILESCOc1ccc(CNCCc2cccc3cccnc23)cn1
InChIInChI=1S/C18H19N3O/c1-22-17-8-7-14(13-21-17)12-19-11-9-16-5-2-4-15-6-3-10-20-18(15)16/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyFDMXKSGIGHMJFZ-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.97
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-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
CID 51086137
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N-methyl-1-(6-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322740

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine (CID 167841665) is N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine is COc1ccc(CNCCc2cccc3cccnc23)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is FDMXKSGIGHMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-8-7-14(13-21-17)12-19-11-9-16-5-2-4-15-6-3-10-20-18(15)16/h2-8,10,13,19H,9,11-12H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 293.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 167841665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).