3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal

C22H18N2O — CID 19824915

IUPAC3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
SMILESO=CC(Cc1ccnc2ccccc12)Cc1ccnc2ccccc12
InChIInChI=1S/C22H18N2O/c25-15-16(13-17-9-11-23-21-7-3-1-5-19(17)21)14-18-10-12-24-22-8-4-2-6-20(18)22/h1-12,15-16H,13-14H2
InChIKeyYPHWKUDCHUJWHL-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.38
Rot. Bonds5

About 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal

3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal (PubChem CID 19824915) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal.

Molecular Properties

Compound Name3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
PubChem CID19824915
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
SMILESO=CC(Cc1ccnc2ccccc12)Cc1ccnc2ccccc12
InChIInChI=1S/C22H18N2O/c25-15-16(13-17-9-11-23-21-7-3-1-5-19(17)21)14-18-10-12-24-22-8-4-2-6-20(18)22/h1-12,15-16H,13-14H2
InChIKeyYPHWKUDCHUJWHL-UHFFFAOYSA-N
XLogP4.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.38
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-ethylbutyl)quinoline
CID 143495355
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
4-(2-chlorobutyl)quinoline
CID 63203241
4-(2-bromo-2-phenylethyl)quinoline
CID 63202521
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
2-quinolin-4-ylpropanal
CID 54154941
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
CID 103168915
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal?
The IUPAC name of 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal (CID 19824915) is 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal.
What is the SMILES notation for 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal?
The canonical SMILES for 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal is O=CC(Cc1ccnc2ccccc12)Cc1ccnc2ccccc12.
What is the InChIKey of 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal?
The InChIKey is YPHWKUDCHUJWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-15-16(13-17-9-11-23-21-7-3-1-5-19(17)21)14-18-10-12-24-22-8-4-2-6-20(18)22/h1-12,15-16H,13-14H2.
What are the key properties of 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal?
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal has a molecular weight of 326.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal is sourced from PubChem (CID 19824915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).