1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline

C21H25N — CID 141304439

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline
SMILESCC(C)c1cccc(C(C)C)c1N1CC=Cc2ccccc21
InChIInChI=1S/C21H25N/c1-15(2)18-11-7-12-19(16(3)4)21(18)22-14-8-10-17-9-5-6-13-20(17)22/h5-13,15-16H,14H2,1-4H3
InChIKeyAOXSCWULMKZKGW-UHFFFAOYSA-N
MW291.44 g/mol
LogP6.10
Rot. Bonds3

About 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline

1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline (PubChem CID 141304439) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline
PubChem CID141304439
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline
SMILESCC(C)c1cccc(C(C)C)c1N1CC=Cc2ccccc21
InChIInChI=1S/C21H25N/c1-15(2)18-11-7-12-19(16(3)4)21(18)22-14-8-10-17-9-5-6-13-20(17)22/h5-13,15-16H,14H2,1-4H3
InChIKeyAOXSCWULMKZKGW-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-propan-2-ylphenyl)-2H-quinoline
CID 141304438
1-methyl-2H-quinoline;hydrate;dihydroiodide
CID 174675157
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
2-(2H-quinolin-1-yl)quinoline
CID 149254118
1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole
CID 118444759
iridium;1-pentyl-2H-quinoline
CID 157228935
4-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-phenyl-3H-1,2,4-triazole
CID 22956556
(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene
CID 71158878
4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007463
CID 101393152
CID 101393152

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline (CID 141304439) is 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline is CC(C)c1cccc(C(C)C)c1N1CC=Cc2ccccc21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline?
The InChIKey is AOXSCWULMKZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-15(2)18-11-7-12-19(16(3)4)21(18)22-14-8-10-17-9-5-6-13-20(17)22/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline?
1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline has a molecular weight of 291.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline is sourced from PubChem (CID 141304439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).