6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C17H23N3O2 — CID 141473238

IUPAC6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(N)ccnc2cc1OCCCN1CCCC1
InChIInChI=1S/C17H23N3O2/c1-21-16-11-13-14(18)5-6-19-15(13)12-17(16)22-10-4-9-20-7-2-3-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H2,18,19)
InChIKeyQHYRXLJGNSPRGA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.69
Rot. Bonds6

About 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 141473238) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID141473238
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(N)ccnc2cc1OCCCN1CCCC1
InChIInChI=1S/C17H23N3O2/c1-21-16-11-13-14(18)5-6-19-15(13)12-17(16)22-10-4-9-20-7-2-3-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H2,18,19)
InChIKeyQHYRXLJGNSPRGA-UHFFFAOYSA-N
XLogP2.69
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 141473238) is 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(N)ccnc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is QHYRXLJGNSPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-16-11-13-14(18)5-6-19-15(13)12-17(16)22-10-4-9-20-7-2-3-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H2,18,19).
What are the key properties of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 141473238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).