2-(dodecoxymethyl)quinoline

C22H33NO — CID 14754989

IUPAC2-(dodecoxymethyl)quinoline
SMILESCCCCCCCCCCCCOCc1ccc2ccccc2n1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-13-18-24-19-21-17-16-20-14-11-12-15-22(20)23-21/h11-12,14-17H,2-10,13,18-19H2,1H3
InChIKeyTWPCEVVGCKCXLC-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.67
Rot. Bonds13

About 2-(dodecoxymethyl)quinoline

2-(dodecoxymethyl)quinoline (PubChem CID 14754989) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-(dodecoxymethyl)quinoline.

Molecular Properties

Compound Name2-(dodecoxymethyl)quinoline
PubChem CID14754989
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name2-(dodecoxymethyl)quinoline
SMILESCCCCCCCCCCCCOCc1ccc2ccccc2n1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-13-18-24-19-21-17-16-20-14-11-12-15-22(20)23-21/h11-12,14-17H,2-10,13,18-19H2,1H3
InChIKeyTWPCEVVGCKCXLC-UHFFFAOYSA-N
XLogP6.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
N-pentyl-4-(quinolin-2-ylmethoxy)aniline
CID 19801895
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
CID 10786723
3-(hexoxymethyl)-N-methylquinolin-2-amine
CID 62193412
2-(prop-2-enoxymethyl)quinoline
CID 10821856
2-methyl-6-[2-[5-(quinolin-2-ylmethoxy)pentoxy]ethyl]benzoic acid
CID 174451431
2-(octoxymethyl)naphthalene
CID 101192870
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
CID 20597909
5-ethoxy-1-quinolin-2-ylpentan-2-amine
CID 105159235

Frequently Asked Questions

What is the IUPAC name of 2-(dodecoxymethyl)quinoline?
The IUPAC name of 2-(dodecoxymethyl)quinoline (CID 14754989) is 2-(dodecoxymethyl)quinoline.
What is the SMILES notation for 2-(dodecoxymethyl)quinoline?
The canonical SMILES for 2-(dodecoxymethyl)quinoline is CCCCCCCCCCCCOCc1ccc2ccccc2n1.
What is the InChIKey of 2-(dodecoxymethyl)quinoline?
The InChIKey is TWPCEVVGCKCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-13-18-24-19-21-17-16-20-14-11-12-15-22(20)23-21/h11-12,14-17H,2-10,13,18-19H2,1H3.
What are the key properties of 2-(dodecoxymethyl)quinoline?
2-(dodecoxymethyl)quinoline has a molecular weight of 327.51 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecoxymethyl)quinoline is sourced from PubChem (CID 14754989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).