7-butoxy-6-methoxyquinoline

C14H17NO2 — CID 161197918

IUPAC7-butoxy-6-methoxyquinoline
SMILESCCCCOc1cc2ncccc2cc1OC
InChIInChI=1S/C14H17NO2/c1-3-4-8-17-14-10-12-11(6-5-7-15-12)9-13(14)16-2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyUUPBABCXVAMWKK-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.42
Rot. Bonds5

About 7-butoxy-6-methoxyquinoline

7-butoxy-6-methoxyquinoline (PubChem CID 161197918) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-butoxy-6-methoxyquinoline.

Molecular Properties

Compound Name7-butoxy-6-methoxyquinoline
PubChem CID161197918
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name7-butoxy-6-methoxyquinoline
SMILESCCCCOc1cc2ncccc2cc1OC
InChIInChI=1S/C14H17NO2/c1-3-4-8-17-14-10-12-11(6-5-7-15-12)9-13(14)16-2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyUUPBABCXVAMWKK-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
3-[3-(6-methoxyquinolin-7-yl)oxypropyl-methylamino]propane-1-thiol
CID 175999829
7-bromo-6-methoxyquinoline
CID 14566897
6-tridecoxyquinoline
CID 174908858
6,7-dimethoxy-2-tritioquinoline
CID 173196724
6,7,16,17,26,27-hexabutoxy-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 86222385
6-methoxyquinoline-7-carboxylic acid
CID 131314399
4-[1-(6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 173078000
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
CID 23078503
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
CID 130473194

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-6-methoxyquinoline?
The IUPAC name of 7-butoxy-6-methoxyquinoline (CID 161197918) is 7-butoxy-6-methoxyquinoline.
What is the SMILES notation for 7-butoxy-6-methoxyquinoline?
The canonical SMILES for 7-butoxy-6-methoxyquinoline is CCCCOc1cc2ncccc2cc1OC.
What is the InChIKey of 7-butoxy-6-methoxyquinoline?
The InChIKey is UUPBABCXVAMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-8-17-14-10-12-11(6-5-7-15-12)9-13(14)16-2/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 7-butoxy-6-methoxyquinoline?
7-butoxy-6-methoxyquinoline has a molecular weight of 231.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-6-methoxyquinoline is sourced from PubChem (CID 161197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).