1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine

C17H17N3O — CID 105065744

IUPAC1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
SMILESCOc1cnccc1C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-17-11-19-8-7-14(17)15(18)10-12-6-9-20-16-5-3-2-4-13(12)16/h2-9,11,15H,10,18H2,1H3
InChIKeySJLAOEYLHIEYIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.88
Rot. Bonds4

About 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine

1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine (PubChem CID 105065744) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
PubChem CID105065744
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
SMILESCOc1cnccc1C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-17-11-19-8-7-14(17)15(18)10-12-6-9-20-16-5-3-2-4-13(12)16/h2-9,11,15H,10,18H2,1H3
InChIKeySJLAOEYLHIEYIN-UHFFFAOYSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105065815
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065429
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
CID 105065820
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine (CID 105065744) is 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine is COc1cnccc1C(N)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine?
The InChIKey is SJLAOEYLHIEYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-11-19-8-7-14(17)15(18)10-12-6-9-20-16-5-3-2-4-13(12)16/h2-9,11,15H,10,18H2,1H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine?
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 105065744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).