2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline

C24H23NO — CID 142083930

IUPAC2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
SMILESCC1=CCCC=C1Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H23NO/c1-18-6-2-3-8-21(18)16-19-10-14-23(15-11-19)26-17-22-13-12-20-7-4-5-9-24(20)25-22/h4-15H,2-3,16-17H2,1H3
InChIKeyPQXFCHZOYNBOPH-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.02
Rot. Bonds5

About 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline

2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline (PubChem CID 142083930) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
PubChem CID142083930
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
SMILESCC1=CCCC=C1Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H23NO/c1-18-6-2-3-8-21(18)16-19-10-14-23(15-11-19)26-17-22-13-12-20-7-4-5-9-24(20)25-22/h4-15H,2-3,16-17H2,1H3
InChIKeyPQXFCHZOYNBOPH-UHFFFAOYSA-N
XLogP6.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
methanesulfonic acid;[3-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]methanol
CID 86743875
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline (CID 142083930) is 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline is CC1=CCCC=C1Cc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline?
The InChIKey is PQXFCHZOYNBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-18-6-2-3-8-21(18)16-19-10-14-23(15-11-19)26-17-22-13-12-20-7-4-5-9-24(20)25-22/h4-15H,2-3,16-17H2,1H3.
What are the key properties of 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline?
2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline has a molecular weight of 341.45 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 142083930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).