2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline

C26H25NO2 — CID 57057623

IUPAC2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
SMILESCCCc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-2-5-20-8-10-21(11-9-20)18-28-24-14-16-25(17-15-24)29-19-23-13-12-22-6-3-4-7-26(22)27-23/h3-4,6-17H,2,5,18-19H2,1H3
InChIKeyMICZYFZHXZRFID-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.35
Rot. Bonds8

About 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline

2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline (PubChem CID 57057623) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
PubChem CID57057623
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
SMILESCCCc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-2-5-20-8-10-21(11-9-20)18-28-24-14-16-25(17-15-24)29-19-23-13-12-22-6-3-4-7-26(22)27-23/h3-4,6-17H,2,5,18-19H2,1H3
InChIKeyMICZYFZHXZRFID-UHFFFAOYSA-N
XLogP6.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285
N-pentyl-4-(quinolin-2-ylmethoxy)aniline
CID 19801895
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one
CID 59117219
3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
CID 22443419

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline (CID 57057623) is 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline is CCCc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline?
The InChIKey is MICZYFZHXZRFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-2-5-20-8-10-21(11-9-20)18-28-24-14-16-25(17-15-24)29-19-23-13-12-22-6-3-4-7-26(22)27-23/h3-4,6-17H,2,5,18-19H2,1H3.
What are the key properties of 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline?
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline has a molecular weight of 383.49 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 57057623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).