8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid

C24H27NO6 — CID 2934693

IUPAC8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
SMILESCc1ccc2cccc(OCCCCOc3c(C)cccc3C)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C22H25NO2.C2H2O4/c1-16-8-6-9-17(2)22(16)25-15-5-4-14-24-20-11-7-10-19-13-12-18(3)23-21(19)20;3-1(4)2(5)6/h6-13H,4-5,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySBBGRWATPFPEHZ-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.55
Rot. Bonds7

About 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid

8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid (PubChem CID 2934693) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid.

Molecular Properties

Compound Name8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
PubChem CID2934693
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
SMILESCc1ccc2cccc(OCCCCOc3c(C)cccc3C)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C22H25NO2.C2H2O4/c1-16-8-6-9-17(2)22(16)25-15-5-4-14-24-20-11-7-10-19-13-12-18(3)23-21(19)20;3-1(4)2(5)6/h6-13H,4-5,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySBBGRWATPFPEHZ-UHFFFAOYSA-N
XLogP4.55
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
8-[3-(4-bromo-2-chlorophenoxy)propoxy]-2-methylquinoline;oxalic acid
CID 2935736
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140659197
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
6-(2-methylquinolin-8-yl)oxyhexan-3-amine
CID 106800887
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid?
The IUPAC name of 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid (CID 2934693) is 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid.
What is the SMILES notation for 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid?
The canonical SMILES for 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid is Cc1ccc2cccc(OCCCCOc3c(C)cccc3C)c2n1.O=C(O)C(=O)O.
What is the InChIKey of 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid?
The InChIKey is SBBGRWATPFPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.C2H2O4/c1-16-8-6-9-17(2)22(16)25-15-5-4-14-24-20-11-7-10-19-13-12-18(3)23-21(19)20;3-1(4)2(5)6/h6-13H,4-5,14-15H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid?
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid has a molecular weight of 425.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid is sourced from PubChem (CID 2934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).