2-propan-2-ylquinoline;6-propan-2-ylquinoline

C24H26N2 — CID 67193731

IUPAC2-propan-2-ylquinoline;6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1
InChIInChI=1S/2C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h2*3-9H,1-2H3
InChIKeyQZNSUOFUGRAGKG-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.72
Rot. Bonds2

About 2-propan-2-ylquinoline;6-propan-2-ylquinoline

2-propan-2-ylquinoline;6-propan-2-ylquinoline (PubChem CID 67193731) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-propan-2-ylquinoline;6-propan-2-ylquinoline.

Molecular Properties

Compound Name2-propan-2-ylquinoline;6-propan-2-ylquinoline
PubChem CID67193731
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name2-propan-2-ylquinoline;6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1
InChIInChI=1S/2C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h2*3-9H,1-2H3
InChIKeyQZNSUOFUGRAGKG-UHFFFAOYSA-N
XLogP6.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
ethane;2-propan-2-ylquinoline
CID 142538504
methane;2-propan-2-ylquinoline
CID 161334581
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
bis(2-methylpropane);quinoline
CID 159945466
tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 161366721
1,1-dichloroethane;quinoline
CID 174696538
propan-2-ol;quinoline
CID 172685699
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
quinoline
CID 76974643
2-(1-chloroethyl)quinoline
CID 14750485

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylquinoline;6-propan-2-ylquinoline?
The IUPAC name of 2-propan-2-ylquinoline;6-propan-2-ylquinoline (CID 67193731) is 2-propan-2-ylquinoline;6-propan-2-ylquinoline.
What is the SMILES notation for 2-propan-2-ylquinoline;6-propan-2-ylquinoline?
The canonical SMILES for 2-propan-2-ylquinoline;6-propan-2-ylquinoline is CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.
What is the InChIKey of 2-propan-2-ylquinoline;6-propan-2-ylquinoline?
The InChIKey is QZNSUOFUGRAGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h2*3-9H,1-2H3.
What are the key properties of 2-propan-2-ylquinoline;6-propan-2-ylquinoline?
2-propan-2-ylquinoline;6-propan-2-ylquinoline has a molecular weight of 342.49 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylquinoline;6-propan-2-ylquinoline is sourced from PubChem (CID 67193731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).