4-(8-methoxyquinolin-4-yl)butan-1-amine

C14H18N2O — CID 10609508

IUPAC4-(8-methoxyquinolin-4-yl)butan-1-amine
SMILESCOc1cccc2c(CCCCN)ccnc12
InChIInChI=1S/C14H18N2O/c1-17-13-7-4-6-12-11(5-2-3-9-15)8-10-16-14(12)13/h4,6-8,10H,2-3,5,9,15H2,1H3
InChIKeyIWDQCNMDGTYDCL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds5

About 4-(8-methoxyquinolin-4-yl)butan-1-amine

4-(8-methoxyquinolin-4-yl)butan-1-amine (PubChem CID 10609508) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(8-methoxyquinolin-4-yl)butan-1-amine
PubChem CID10609508
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(8-methoxyquinolin-4-yl)butan-1-amine
SMILESCOc1cccc2c(CCCCN)ccnc12
InChIInChI=1S/C14H18N2O/c1-17-13-7-4-6-12-11(5-2-3-9-15)8-10-16-14(12)13/h4,6-8,10H,2-3,5,9,15H2,1H3
InChIKeyIWDQCNMDGTYDCL-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

(8-methoxyquinolin-4-yl)methanol
CID 86714571
3-(8-methoxyquinolin-4-yl)propanal
CID 10846345
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
4-(8-ethoxyquinolin-5-yl)butan-1-amine
CID 117362958
4-[3-(4-heptylpiperazin-1-yl)propyl]-8-methoxyquinoline
CID 67551289
4-quinolin-4-ylbutan-1-amine
CID 10559963
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
5-quinolin-4-ylpentan-1-amine
CID 71089574
4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
CID 68747183
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
4-tridecylquinolin-8-ol
CID 102274119
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-4-yl)butan-1-amine?
The IUPAC name of 4-(8-methoxyquinolin-4-yl)butan-1-amine (CID 10609508) is 4-(8-methoxyquinolin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(8-methoxyquinolin-4-yl)butan-1-amine?
The canonical SMILES for 4-(8-methoxyquinolin-4-yl)butan-1-amine is COc1cccc2c(CCCCN)ccnc12.
What is the InChIKey of 4-(8-methoxyquinolin-4-yl)butan-1-amine?
The InChIKey is IWDQCNMDGTYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-13-7-4-6-12-11(5-2-3-9-15)8-10-16-14(12)13/h4,6-8,10H,2-3,5,9,15H2,1H3.
What are the key properties of 4-(8-methoxyquinolin-4-yl)butan-1-amine?
4-(8-methoxyquinolin-4-yl)butan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 10609508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).