6-(3-quinolin-6-ylbutan-2-yl)quinoline

C22H20N2 — CID 20658775

IUPAC6-(3-quinolin-6-ylbutan-2-yl)quinoline
SMILESCC(c1ccc2ncccc2c1)C(C)c1ccc2ncccc2c1
InChIInChI=1S/C22H20N2/c1-15(17-7-9-21-19(13-17)5-3-11-23-21)16(2)18-8-10-22-20(14-18)6-4-12-24-22/h3-16H,1-2H3
InChIKeyXEJHMLBOIKAUGH-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.69
Rot. Bonds3

About 6-(3-quinolin-6-ylbutan-2-yl)quinoline

6-(3-quinolin-6-ylbutan-2-yl)quinoline (PubChem CID 20658775) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(3-quinolin-6-ylbutan-2-yl)quinoline.

Molecular Properties

Compound Name6-(3-quinolin-6-ylbutan-2-yl)quinoline
PubChem CID20658775
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name6-(3-quinolin-6-ylbutan-2-yl)quinoline
SMILESCC(c1ccc2ncccc2c1)C(C)c1ccc2ncccc2c1
InChIInChI=1S/C22H20N2/c1-15(17-7-9-21-19(13-17)5-3-11-23-21)16(2)18-8-10-22-20(14-18)6-4-12-24-22/h3-16H,1-2H3
InChIKeyXEJHMLBOIKAUGH-UHFFFAOYSA-N
XLogP5.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
N-tert-butyl-2-methyl-3-quinolin-6-ylbutan-1-amine
CID 81223538
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
1-quinolin-6-ylbutan-1-amine
CID 63095616
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975

Frequently Asked Questions

What is the IUPAC name of 6-(3-quinolin-6-ylbutan-2-yl)quinoline?
The IUPAC name of 6-(3-quinolin-6-ylbutan-2-yl)quinoline (CID 20658775) is 6-(3-quinolin-6-ylbutan-2-yl)quinoline.
What is the SMILES notation for 6-(3-quinolin-6-ylbutan-2-yl)quinoline?
The canonical SMILES for 6-(3-quinolin-6-ylbutan-2-yl)quinoline is CC(c1ccc2ncccc2c1)C(C)c1ccc2ncccc2c1.
What is the InChIKey of 6-(3-quinolin-6-ylbutan-2-yl)quinoline?
The InChIKey is XEJHMLBOIKAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-15(17-7-9-21-19(13-17)5-3-11-23-21)16(2)18-8-10-22-20(14-18)6-4-12-24-22/h3-16H,1-2H3.
What are the key properties of 6-(3-quinolin-6-ylbutan-2-yl)quinoline?
6-(3-quinolin-6-ylbutan-2-yl)quinoline has a molecular weight of 312.42 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-quinolin-6-ylbutan-2-yl)quinoline is sourced from PubChem (CID 20658775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).