4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine

C15H20N2O — CID 82577735

IUPAC4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
SMILESCOc1ccc2c(C)cc(CCCCN)nc2c1
InChIInChI=1S/C15H20N2O/c1-11-9-12(5-3-4-8-16)17-15-10-13(18-2)6-7-14(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyOOWQRJVGVSEBSY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.83
Rot. Bonds5

About 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine

4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine (PubChem CID 82577735) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
PubChem CID82577735
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
SMILESCOc1ccc2c(C)cc(CCCCN)nc2c1
InChIInChI=1S/C15H20N2O/c1-11-9-12(5-3-4-8-16)17-15-10-13(18-2)6-7-14(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyOOWQRJVGVSEBSY-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine?
The IUPAC name of 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine (CID 82577735) is 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine?
The canonical SMILES for 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine is COc1ccc2c(C)cc(CCCCN)nc2c1.
What is the InChIKey of 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine?
The InChIKey is OOWQRJVGVSEBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-12(5-3-4-8-16)17-15-10-13(18-2)6-7-14(11)15/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine?
4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine is sourced from PubChem (CID 82577735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).