6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine

C15H19N3O — CID 23022463

IUPAC6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine
SMILESCOc1cc2cc(CN3CCCC3)cnc2cc1N
InChIInChI=1S/C15H19N3O/c1-19-15-7-12-6-11(10-18-4-2-3-5-18)9-17-14(12)8-13(15)16/h6-9H,2-5,10,16H2,1H3
InChIKeySTXDFGNXUHFYCT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds3

About 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine

6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine (PubChem CID 23022463) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine.

Molecular Properties

Compound Name6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine
PubChem CID23022463
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine
SMILESCOc1cc2cc(CN3CCCC3)cnc2cc1N
InChIInChI=1S/C15H19N3O/c1-19-15-7-12-6-11(10-18-4-2-3-5-18)9-17-14(12)8-13(15)16/h6-9H,2-5,10,16H2,1H3
InChIKeySTXDFGNXUHFYCT-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
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 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine?
The IUPAC name of 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine (CID 23022463) is 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine.
What is the SMILES notation for 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine?
The canonical SMILES for 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine is COc1cc2cc(CN3CCCC3)cnc2cc1N.
What is the InChIKey of 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine?
The InChIKey is STXDFGNXUHFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-7-12-6-11(10-18-4-2-3-5-18)9-17-14(12)8-13(15)16/h6-9H,2-5,10,16H2,1H3.
What are the key properties of 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine?
6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine has a molecular weight of 257.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine is sourced from PubChem (CID 23022463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).