6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline

C24H29NO — CID 58028335

IUPAC6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline
SMILESCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1ccc2ncccc2c1
InChIInChI=1S/C24H29NO/c1-23(2,3)18-14-19(24(4,5)6)22(21(15-18)26-7)17-10-11-20-16(13-17)9-8-12-25-20/h8-15H,1-7H3
InChIKeySSDQBYPOGDGHKC-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.51
Rot. Bonds2

About 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline

6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline (PubChem CID 58028335) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline.

Molecular Properties

Compound Name6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline
PubChem CID58028335
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline
SMILESCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1ccc2ncccc2c1
InChIInChI=1S/C24H29NO/c1-23(2,3)18-14-19(24(4,5)6)22(21(15-18)26-7)17-10-11-20-16(13-17)9-8-12-25-20/h8-15H,1-7H3
InChIKeySSDQBYPOGDGHKC-UHFFFAOYSA-N
XLogP6.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione
CID 141375280
7-bromo-6-methoxyquinoline
CID 14566897
6-(3-methylphenyl)quinoline
CID 4185278
2-tert-butyl-6-quinolin-6-yl-1H-pyrimidine-4-thione
CID 106519638
6-(1H-azirin-2-yl)quinoline
CID 146540612
1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine
CID 81196953
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline?
The IUPAC name of 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline (CID 58028335) is 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline.
What is the SMILES notation for 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline?
The canonical SMILES for 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline is COc1cc(C(C)(C)C)cc(C(C)(C)C)c1-c1ccc2ncccc2c1.
What is the InChIKey of 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline?
The InChIKey is SSDQBYPOGDGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-23(2,3)18-14-19(24(4,5)6)22(21(15-18)26-7)17-10-11-20-16(13-17)9-8-12-25-20/h8-15H,1-7H3.
What are the key properties of 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline?
6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline has a molecular weight of 347.50 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-ditert-butyl-6-methoxyphenyl)quinoline is sourced from PubChem (CID 58028335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).