8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline

C24H27NO3 — CID 2183511

IUPAC8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline
SMILESC=CCc1cc(OC)ccc1OCCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C24H27NO3/c1-4-8-20-17-21(26-3)13-14-22(20)27-15-5-6-16-28-23-10-7-9-19-12-11-18(2)25-24(19)23/h4,7,9-14,17H,1,5-6,8,15-16H2,2-3H3
InChIKeyQPYPUGJEIAPMTR-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.52
Rot. Bonds10

About 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline

8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline (PubChem CID 2183511) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline
PubChem CID2183511
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline
SMILESC=CCc1cc(OC)ccc1OCCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C24H27NO3/c1-4-8-20-17-21(26-3)13-14-22(20)27-15-5-6-16-28-23-10-7-9-19-12-11-18(2)25-24(19)23/h4,7,9-14,17H,1,5-6,8,15-16H2,2-3H3
InChIKeyQPYPUGJEIAPMTR-UHFFFAOYSA-N
XLogP5.52
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxy-2-prop-2-enylphenoxy)propylsulfanyl]pyrimidine
CID 2948891
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
1-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]pyrrolidin-1-ium
CID 2296721
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2183491
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium
CID 2299606
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
4-[4-(4-methoxy-2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2299379

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline?
The IUPAC name of 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline (CID 2183511) is 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline.
What is the SMILES notation for 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline?
The canonical SMILES for 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline is C=CCc1cc(OC)ccc1OCCCCOc1cccc2ccc(C)nc12.
What is the InChIKey of 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline?
The InChIKey is QPYPUGJEIAPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-8-20-17-21(26-3)13-14-22(20)27-15-5-6-16-28-23-10-7-9-19-12-11-18(2)25-24(19)23/h4,7,9-14,17H,1,5-6,8,15-16H2,2-3H3.
What are the key properties of 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline?
8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline has a molecular weight of 377.48 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline is sourced from PubChem (CID 2183511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).