4-methoxy-1-quinolin-6-ylbutan-1-amine

C14H18N2O — CID 78924718

IUPAC4-methoxy-1-quinolin-6-ylbutan-1-amine
SMILESCOCCCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O/c1-17-9-3-5-13(15)11-6-7-14-12(10-11)4-2-8-16-14/h2,4,6-8,10,13H,3,5,9,15H2,1H3
InChIKeyBQOGGIBWMIBNMQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.66
Rot. Bonds5

About 4-methoxy-1-quinolin-6-ylbutan-1-amine

4-methoxy-1-quinolin-6-ylbutan-1-amine (PubChem CID 78924718) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methoxy-1-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-quinolin-6-ylbutan-1-amine
PubChem CID78924718
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-methoxy-1-quinolin-6-ylbutan-1-amine
SMILESCOCCCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O/c1-17-9-3-5-13(15)11-6-7-14-12(10-11)4-2-8-16-14/h2,4,6-8,10,13H,3,5,9,15H2,1H3
InChIKeyBQOGGIBWMIBNMQ-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.66
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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Related Compounds

5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-yldecan-1-amine
CID 63418413
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-quinolin-6-ylbutan-1-amine?
The IUPAC name of 4-methoxy-1-quinolin-6-ylbutan-1-amine (CID 78924718) is 4-methoxy-1-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-quinolin-6-ylbutan-1-amine is COCCCC(N)c1ccc2ncccc2c1.
What is the InChIKey of 4-methoxy-1-quinolin-6-ylbutan-1-amine?
The InChIKey is BQOGGIBWMIBNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-9-3-5-13(15)11-6-7-14-12(10-11)4-2-8-16-14/h2,4,6-8,10,13H,3,5,9,15H2,1H3.
What are the key properties of 4-methoxy-1-quinolin-6-ylbutan-1-amine?
4-methoxy-1-quinolin-6-ylbutan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 78924718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).