3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde

C14H11N3O2 — CID 155416344

IUPAC3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1Oc1cnc2ccccc2c1
InChIInChI=1S/C14H11N3O2/c1-17-11(9-18)7-16-14(17)19-12-6-10-4-2-3-5-13(10)15-8-12/h2-9H,1H3
InChIKeyVQRIEBQPEOJBHW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.57
Rot. Bonds3

About 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde

3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde (PubChem CID 155416344) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
PubChem CID155416344
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1Oc1cnc2ccccc2c1
InChIInChI=1S/C14H11N3O2/c1-17-11(9-18)7-16-14(17)19-12-6-10-4-2-3-5-13(10)15-8-12/h2-9H,1H3
InChIKeyVQRIEBQPEOJBHW-UHFFFAOYSA-N
XLogP2.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-3-quinolin-3-yloxybenzaldehyde
CID 164741302
1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine
CID 107386966
3-methylsulfanyloxyquinoline
CID 174462861
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
2-quinolin-3-yloxyethanamine
CID 84661473
2-methoxy-N-(2-quinolin-3-yloxyethyl)ethanamine
CID 97034151
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
3-(bromomethoxy)quinoline
CID 54277099
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde?
The IUPAC name of 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde (CID 155416344) is 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde is Cn1c(C=O)cnc1Oc1cnc2ccccc2c1.
What is the InChIKey of 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde?
The InChIKey is VQRIEBQPEOJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-11(9-18)7-16-14(17)19-12-6-10-4-2-3-5-13(10)15-8-12/h2-9H,1H3.
What are the key properties of 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde?
3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde is sourced from PubChem (CID 155416344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).