6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde

C17H14N2O2 — CID 78929085

IUPAC6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc3cccnc23)c(C=O)n1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-16(15(10-20)19-12)21-11-14-5-2-4-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3
InChIKeyQXUFPLKTKJXJCF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.33
Rot. Bonds4

About 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde

6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde (PubChem CID 78929085) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
PubChem CID78929085
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc3cccnc23)c(C=O)n1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-16(15(10-20)19-12)21-11-14-5-2-4-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3
InChIKeyQXUFPLKTKJXJCF-UHFFFAOYSA-N
XLogP3.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one
CID 33100645

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde (CID 78929085) is 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde is Cc1ccc(OCc2cccc3cccnc23)c(C=O)n1.
What is the InChIKey of 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde?
The InChIKey is QXUFPLKTKJXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-8-16(15(10-20)19-12)21-11-14-5-2-4-13-6-3-9-18-17(13)14/h2-10H,11H2,1H3.
What are the key properties of 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde?
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde has a molecular weight of 278.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 78929085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).