3-(butoxymethyl)-7-methoxyquinolin-2-amine

C15H20N2O2 — CID 55044888

IUPAC3-(butoxymethyl)-7-methoxyquinolin-2-amine
SMILESCCCCOCc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C15H20N2O2/c1-3-4-7-19-10-12-8-11-5-6-13(18-2)9-14(11)17-15(12)16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,16,17)
InChIKeyDNHWEMGTERLNEU-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds6

About 3-(butoxymethyl)-7-methoxyquinolin-2-amine

3-(butoxymethyl)-7-methoxyquinolin-2-amine (PubChem CID 55044888) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(butoxymethyl)-7-methoxyquinolin-2-amine.

Molecular Properties

Compound Name3-(butoxymethyl)-7-methoxyquinolin-2-amine
PubChem CID55044888
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(butoxymethyl)-7-methoxyquinolin-2-amine
SMILESCCCCOCc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C15H20N2O2/c1-3-4-7-19-10-12-8-11-5-6-13(18-2)9-14(11)17-15(12)16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,16,17)
InChIKeyDNHWEMGTERLNEU-UHFFFAOYSA-N
XLogP3.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
CID 103285328
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
CID 79114213
[3-(ethoxymethyl)-7-methoxyquinolin-2-yl]hydrazine
CID 62245819
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
CID 60922871
2-chloro-3-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
CID 62177692
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-7-methoxyquinolin-2-amine?
The IUPAC name of 3-(butoxymethyl)-7-methoxyquinolin-2-amine (CID 55044888) is 3-(butoxymethyl)-7-methoxyquinolin-2-amine.
What is the SMILES notation for 3-(butoxymethyl)-7-methoxyquinolin-2-amine?
The canonical SMILES for 3-(butoxymethyl)-7-methoxyquinolin-2-amine is CCCCOCc1cc2ccc(OC)cc2nc1N.
What is the InChIKey of 3-(butoxymethyl)-7-methoxyquinolin-2-amine?
The InChIKey is DNHWEMGTERLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-7-19-10-12-8-11-5-6-13(18-2)9-14(11)17-15(12)16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,16,17).
What are the key properties of 3-(butoxymethyl)-7-methoxyquinolin-2-amine?
3-(butoxymethyl)-7-methoxyquinolin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-7-methoxyquinolin-2-amine is sourced from PubChem (CID 55044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).