2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline

C25H30N2O2 — CID 54345284

IUPAC2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(OCOc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21
InChIInChI=1S/C25H30N2O2/c1-16-13-24(3,4)26-22-9-7-18(11-20(16)22)28-15-29-19-8-10-23-21(12-19)17(2)14-25(5,6)27-23/h7-14,26-27H,15H2,1-6H3
InChIKeyUBWTYUUKUGKLGJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.32
Rot. Bonds4

About 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline

2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline (PubChem CID 54345284) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline
PubChem CID54345284
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(OCOc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21
InChIInChI=1S/C25H30N2O2/c1-16-13-24(3,4)26-22-9-7-18(11-20(16)22)28-15-29-19-8-10-23-21(12-19)17(2)14-25(5,6)27-23/h7-14,26-27H,15H2,1-6H3
InChIKeyUBWTYUUKUGKLGJ-UHFFFAOYSA-N
XLogP6.32
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 3127094
4-(1-Methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 23648072

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline (CID 54345284) is 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline is CC1=CC(C)(C)Nc2ccc(OCOc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21.
What is the InChIKey of 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline?
The InChIKey is UBWTYUUKUGKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16-13-24(3,4)26-22-9-7-18(11-20(16)22)28-15-29-19-8-10-23-21(12-19)17(2)14-25(5,6)27-23/h7-14,26-27H,15H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline?
2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline has a molecular weight of 390.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline is sourced from PubChem (CID 54345284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).