5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde

C17H12ClNO2 — CID 43244328

IUPAC5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H12ClNO2/c18-15-6-7-16(14(9-15)10-20)21-11-13-4-1-3-12-5-2-8-19-17(12)13/h1-10H,11H2
InChIKeyWCNQBJZOCWZHHH-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.28
Rot. Bonds4

About 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde

5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde (PubChem CID 43244328) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
PubChem CID43244328
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H12ClNO2/c18-15-6-7-16(14(9-15)10-20)21-11-13-4-1-3-12-5-2-8-19-17(12)13/h1-10H,11H2
InChIKeyWCNQBJZOCWZHHH-UHFFFAOYSA-N
XLogP4.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.28
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

5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
CID 142322438
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde (CID 43244328) is 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde is O=Cc1cc(Cl)ccc1OCc1cccc2cccnc12.
What is the InChIKey of 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde?
The InChIKey is WCNQBJZOCWZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-15-6-7-16(14(9-15)10-20)21-11-13-4-1-3-12-5-2-8-19-17(12)13/h1-10H,11H2.
What are the key properties of 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde?
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde has a molecular weight of 297.74 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde is sourced from PubChem (CID 43244328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).