4-methyl-3-quinolin-7-ylbenzaldehyde

C17H13NO — CID 105408212

IUPAC4-methyl-3-quinolin-7-ylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C17H13NO/c1-12-4-5-13(11-19)9-16(12)15-7-6-14-3-2-8-18-17(14)10-15/h2-11H,1H3
InChIKeyWREBFKQDDRFHSB-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.02
Rot. Bonds2

About 4-methyl-3-quinolin-7-ylbenzaldehyde

4-methyl-3-quinolin-7-ylbenzaldehyde (PubChem CID 105408212) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-3-quinolin-7-ylbenzaldehyde.

Molecular Properties

Compound Name4-methyl-3-quinolin-7-ylbenzaldehyde
PubChem CID105408212
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name4-methyl-3-quinolin-7-ylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C17H13NO/c1-12-4-5-13(11-19)9-16(12)15-7-6-14-3-2-8-18-17(14)10-15/h2-11H,1H3
InChIKeyWREBFKQDDRFHSB-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-quinolin-7-ylbenzaldehyde?
The IUPAC name of 4-methyl-3-quinolin-7-ylbenzaldehyde (CID 105408212) is 4-methyl-3-quinolin-7-ylbenzaldehyde.
What is the SMILES notation for 4-methyl-3-quinolin-7-ylbenzaldehyde?
The canonical SMILES for 4-methyl-3-quinolin-7-ylbenzaldehyde is Cc1ccc(C=O)cc1-c1ccc2cccnc2c1.
What is the InChIKey of 4-methyl-3-quinolin-7-ylbenzaldehyde?
The InChIKey is WREBFKQDDRFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-12-4-5-13(11-19)9-16(12)15-7-6-14-3-2-8-18-17(14)10-15/h2-11H,1H3.
What are the key properties of 4-methyl-3-quinolin-7-ylbenzaldehyde?
4-methyl-3-quinolin-7-ylbenzaldehyde has a molecular weight of 247.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-quinolin-7-ylbenzaldehyde is sourced from PubChem (CID 105408212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).