4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline

C32H40N2 — CID 67368274

IUPAC4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
SMILESCC(C)(CCCCCCCCCCCc1ccnc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C32H40N2/c1-32(2,29-22-25-34-31-20-14-12-18-28(29)31)23-15-9-7-5-3-4-6-8-10-16-26-21-24-33-30-19-13-11-17-27(26)30/h11-14,17-22,24-25H,3-10,15-16,23H2,1-2H3
InChIKeyVJEXLQQQNUQWHC-UHFFFAOYSA-N
MW452.69 g/mol
LogP9.20
Rot. Bonds13

About 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline

4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline (PubChem CID 67368274) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline.

Molecular Properties

Compound Name4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
PubChem CID67368274
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC Name4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
SMILESCC(C)(CCCCCCCCCCCc1ccnc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C32H40N2/c1-32(2,29-22-25-34-31-20-14-12-18-28(29)31)23-15-9-7-5-3-4-6-8-10-16-26-21-24-33-30-19-13-11-17-27(26)30/h11-14,17-22,24-25H,3-10,15-16,23H2,1-2H3
InChIKeyVJEXLQQQNUQWHC-UHFFFAOYSA-N
XLogP9.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-quinolin-4-ylpentan-1-amine
CID 71089574
4-quinolin-4-ylbutan-1-amine
CID 10559963
3-quinolin-4-ylpropan-1-ol
CID 21218471
6-quinolin-4-ylhexan-2-ol
CID 90935921
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
3-quinolin-4-ylheptan-3-ol
CID 174586649
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
CID 81221155
4-(2-quinolin-4-yloxypropan-2-yl)quinoline
CID 173219055
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
CID 69202052
CID 69202052

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline?
The IUPAC name of 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline (CID 67368274) is 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline.
What is the SMILES notation for 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline?
The canonical SMILES for 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline is CC(C)(CCCCCCCCCCCc1ccnc2ccccc12)c1ccnc2ccccc12.
What is the InChIKey of 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline?
The InChIKey is VJEXLQQQNUQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2/c1-32(2,29-22-25-34-31-20-14-12-18-28(29)31)23-15-9-7-5-3-4-6-8-10-16-26-21-24-33-30-19-13-11-17-27(26)30/h11-14,17-22,24-25H,3-10,15-16,23H2,1-2H3.
What are the key properties of 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline?
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline has a molecular weight of 452.69 g/mol, XLogP of 9.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline is sourced from PubChem (CID 67368274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).