3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde

C18H16N2O — CID 146321545

IUPAC3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde
SMILESCC(N)c1cc(C=O)ccc1-c1cccc2cccnc12
InChIInChI=1S/C18H16N2O/c1-12(19)17-10-13(11-21)7-8-15(17)16-6-2-4-14-5-3-9-20-18(14)16/h2-12H,19H2,1H3
InChIKeyRCDYVMXNBGJZFN-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.73
Rot. Bonds3

About 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde

3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde (PubChem CID 146321545) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde.

Molecular Properties

Compound Name3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde
PubChem CID146321545
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde
SMILESCC(N)c1cc(C=O)ccc1-c1cccc2cccnc12
InChIInChI=1S/C18H16N2O/c1-12(19)17-10-13(11-21)7-8-15(17)16-6-2-4-14-5-3-9-20-18(14)16/h2-12H,19H2,1H3
InChIKeyRCDYVMXNBGJZFN-UHFFFAOYSA-N
XLogP3.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde?
The IUPAC name of 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde (CID 146321545) is 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde.
What is the SMILES notation for 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde?
The canonical SMILES for 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde is CC(N)c1cc(C=O)ccc1-c1cccc2cccnc12.
What is the InChIKey of 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde?
The InChIKey is RCDYVMXNBGJZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12(19)17-10-13(11-21)7-8-15(17)16-6-2-4-14-5-3-9-20-18(14)16/h2-12H,19H2,1H3.
What are the key properties of 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde?
3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde has a molecular weight of 276.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4-quinolin-8-ylbenzaldehyde is sourced from PubChem (CID 146321545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).