3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde

C18H15NO2 — CID 78994185

IUPAC3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2cccc(C=O)c2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-13-9-15(17-7-2-3-8-18(17)19-13)12-21-16-6-4-5-14(10-16)11-20/h2-11H,12H2,1H3
InChIKeyDVQNOCIXFVOVPX-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.93
Rot. Bonds4

About 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde

3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde (PubChem CID 78994185) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
PubChem CID78994185
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2cccc(C=O)c2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-13-9-15(17-7-2-3-8-18(17)19-13)12-21-16-6-4-5-14(10-16)11-20/h2-11H,12H2,1H3
InChIKeyDVQNOCIXFVOVPX-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
3-[(3,4,5-trifluoro-2-methylphenyl)methoxy]benzaldehyde
CID 144776054
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde (CID 78994185) is 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde is Cc1cc(COc2cccc(C=O)c2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde?
The InChIKey is DVQNOCIXFVOVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-9-15(17-7-2-3-8-18(17)19-13)12-21-16-6-4-5-14(10-16)11-20/h2-11H,12H2,1H3.
What are the key properties of 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde?
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 78994185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).