3,9-ditert-butylisoindolo[2,1-a]quinoline

C24H27N — CID 159003286

IUPAC3,9-ditert-butylisoindolo[2,1-a]quinoline
SMILESCC(C)(C)c1ccc2c(c1)cn1c3ccc(C(C)(C)C)cc3ccc21
InChIInChI=1S/C24H27N/c1-23(2,3)18-8-10-20-17(14-18)15-25-21-12-9-19(24(4,5)6)13-16(21)7-11-22(20)25/h7-15H,1-6H3
InChIKeyKMNZNCXNRNSSCO-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.84
Rot. Bonds

About 3,9-ditert-butylisoindolo[2,1-a]quinoline

3,9-ditert-butylisoindolo[2,1-a]quinoline (PubChem CID 159003286) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 3,9-ditert-butylisoindolo[2,1-a]quinoline.

Molecular Properties

Compound Name3,9-ditert-butylisoindolo[2,1-a]quinoline
PubChem CID159003286
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name3,9-ditert-butylisoindolo[2,1-a]quinoline
SMILESCC(C)(C)c1ccc2c(c1)cn1c3ccc(C(C)(C)C)cc3ccc21
InChIInChI=1S/C24H27N/c1-23(2,3)18-8-10-20-17(14-18)15-25-21-12-9-19(24(4,5)6)13-16(21)7-11-22(20)25/h7-15H,1-6H3
InChIKeyKMNZNCXNRNSSCO-UHFFFAOYSA-N
XLogP6.84
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6,9-tritert-butylcarbazole
CID 177113514
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985
2,6-ditert-butylanthracene
CID 15740416
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
6-tert-butyl-1-methylnaphthalene
CID 3019609
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
CID 58068101
1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
CID 118283497
5-tert-butyl-1,3-dimethylindole
CID 82491537
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
CID 154610318
7,24-ditert-butyl-11,20-diethyl-11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5(10),6,8,13,15,17,19(27),21(26),22,24-tridecaene
CID 177432992
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698

Frequently Asked Questions

What is the IUPAC name of 3,9-ditert-butylisoindolo[2,1-a]quinoline?
The IUPAC name of 3,9-ditert-butylisoindolo[2,1-a]quinoline (CID 159003286) is 3,9-ditert-butylisoindolo[2,1-a]quinoline.
What is the SMILES notation for 3,9-ditert-butylisoindolo[2,1-a]quinoline?
The canonical SMILES for 3,9-ditert-butylisoindolo[2,1-a]quinoline is CC(C)(C)c1ccc2c(c1)cn1c3ccc(C(C)(C)C)cc3ccc21.
What is the InChIKey of 3,9-ditert-butylisoindolo[2,1-a]quinoline?
The InChIKey is KMNZNCXNRNSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-23(2,3)18-8-10-20-17(14-18)15-25-21-12-9-19(24(4,5)6)13-16(21)7-11-22(20)25/h7-15H,1-6H3.
What are the key properties of 3,9-ditert-butylisoindolo[2,1-a]quinoline?
3,9-ditert-butylisoindolo[2,1-a]quinoline has a molecular weight of 329.49 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-ditert-butylisoindolo[2,1-a]quinoline is sourced from PubChem (CID 159003286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).