8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine

C18H25N3O2 — CID 27271084

IUPAC8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
SMILESCOc1cccc2c(C)cc(NCCCN3CCOCC3)nc12
InChIInChI=1S/C18H25N3O2/c1-14-13-17(19-7-4-8-21-9-11-23-12-10-21)20-18-15(14)5-3-6-16(18)22-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,20)
InChIKeyNEEWWWCPSJQAOS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.69
Rot. Bonds6

About 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine

8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine (PubChem CID 27271084) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine.

Molecular Properties

Compound Name8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
PubChem CID27271084
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
SMILESCOc1cccc2c(C)cc(NCCCN3CCOCC3)nc12
InChIInChI=1S/C18H25N3O2/c1-14-13-17(19-7-4-8-21-9-11-23-12-10-21)20-18-15(14)5-3-6-16(18)22-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,20)
InChIKeyNEEWWWCPSJQAOS-UHFFFAOYSA-N
XLogP2.69
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
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 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine?
The IUPAC name of 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine (CID 27271084) is 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine.
What is the SMILES notation for 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine?
The canonical SMILES for 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine is COc1cccc2c(C)cc(NCCCN3CCOCC3)nc12.
What is the InChIKey of 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine?
The InChIKey is NEEWWWCPSJQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-13-17(19-7-4-8-21-9-11-23-12-10-21)20-18-15(14)5-3-6-16(18)22-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,20).
What are the key properties of 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine?
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine has a molecular weight of 315.42 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 8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine is sourced from PubChem (CID 27271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).