13-quinolin-2-yltridecanal

C22H31NO — CID 87258856

IUPAC13-quinolin-2-yltridecanal
SMILESO=CCCCCCCCCCCCCc1ccc2ccccc2n1
InChIInChI=1S/C22H31NO/c24-19-13-9-7-5-3-1-2-4-6-8-10-15-21-18-17-20-14-11-12-16-22(20)23-21/h11-12,14,16-19H,1-10,13,15H2
InChIKeyZSXGAURCPCIDHC-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.27
Rot. Bonds13

About 13-quinolin-2-yltridecanal

13-quinolin-2-yltridecanal (PubChem CID 87258856) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 13-quinolin-2-yltridecanal.

Molecular Properties

Compound Name13-quinolin-2-yltridecanal
PubChem CID87258856
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name13-quinolin-2-yltridecanal
SMILESO=CCCCCCCCCCCCCc1ccc2ccccc2n1
InChIInChI=1S/C22H31NO/c24-19-13-9-7-5-3-1-2-4-6-8-10-15-21-18-17-20-14-11-12-16-22(20)23-21/h11-12,14,16-19H,1-10,13,15H2
InChIKeyZSXGAURCPCIDHC-UHFFFAOYSA-N
XLogP6.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
9-quinolin-2-ylnonan-1-ol
CID 19898716
8-quinolin-2-yloxyoctanal
CID 19898648
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
5-pyridin-2-ylpentanal
CID 13416615
15-quinolin-2-ylpentadec-1-yn-3-ol
CID 44612487
2-[6-(2,3,5-trichlorophenyl)hexyl]quinoline
CID 158920701
CID 89210421
CID 89210421
2-benzylidene-4-quinolin-2-ylbutanal
CID 54405790
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
2-(2-methoxyethyl)quinoline
CID 129321824
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095

Frequently Asked Questions

What is the IUPAC name of 13-quinolin-2-yltridecanal?
The IUPAC name of 13-quinolin-2-yltridecanal (CID 87258856) is 13-quinolin-2-yltridecanal.
What is the SMILES notation for 13-quinolin-2-yltridecanal?
The canonical SMILES for 13-quinolin-2-yltridecanal is O=CCCCCCCCCCCCCc1ccc2ccccc2n1.
What is the InChIKey of 13-quinolin-2-yltridecanal?
The InChIKey is ZSXGAURCPCIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c24-19-13-9-7-5-3-1-2-4-6-8-10-15-21-18-17-20-14-11-12-16-22(20)23-21/h11-12,14,16-19H,1-10,13,15H2.
What are the key properties of 13-quinolin-2-yltridecanal?
13-quinolin-2-yltridecanal has a molecular weight of 325.50 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-quinolin-2-yltridecanal is sourced from PubChem (CID 87258856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).