1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine

C16H19N3O — CID 63986501

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESCOc1cccc(CN2CCCc3ccc(N)cc32)n1
InChIInChI=1S/C16H19N3O/c1-20-16-6-2-5-14(18-16)11-19-9-3-4-12-7-8-13(17)10-15(12)19/h2,5-8,10H,3-4,9,11,17H2,1H3
InChIKeyCTXQDOYJQPPSIO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds3

About 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine

1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 63986501) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
PubChem CID63986501
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESCOc1cccc(CN2CCCc3ccc(N)cc32)n1
InChIInChI=1S/C16H19N3O/c1-20-16-6-2-5-14(18-16)11-19-9-3-4-12-7-8-13(17)10-15(12)19/h2,5-8,10H,3-4,9,11,17H2,1H3
InChIKeyCTXQDOYJQPPSIO-UHFFFAOYSA-N
XLogP2.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine (CID 63986501) is 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine is COc1cccc(CN2CCCc3ccc(N)cc32)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is CTXQDOYJQPPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-16-6-2-5-14(18-16)11-19-9-3-4-12-7-8-13(17)10-15(12)19/h2,5-8,10H,3-4,9,11,17H2,1H3.
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine?
1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 269.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 63986501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).