2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline

C25H25N — CID 134387972

IUPAC2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
SMILESCc1cccc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)cc(C)c12
InChIInChI=1S/C25H25N/c1-16-9-8-12-22-24(16)17(2)13-23(26-22)19-14-18-10-6-7-11-20(18)21(15-19)25(3,4)5/h6-15H,1-5H3
InChIKeyJIEBKWPKSYTOHR-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.97
Rot. Bonds1

About 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline

2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline (PubChem CID 134387972) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline.

Molecular Properties

Compound Name2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
PubChem CID134387972
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
SMILESCc1cccc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)cc(C)c12
InChIInChI=1S/C25H25N/c1-16-9-8-12-22-24(16)17(2)13-23(26-22)19-14-18-10-6-7-11-20(18)21(15-19)25(3,4)5/h6-15H,1-5H3
InChIKeyJIEBKWPKSYTOHR-UHFFFAOYSA-N
XLogP6.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
CID 59348519
2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
CID 156665321
2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
CID 170539352
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
2-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole
CID 156665521
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
1-(4-tert-butylnaphthalen-2-yl)-4-methyl-5-(trifluoromethyl)benzo[g]phthalazine
CID 155760281
6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354769
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
CID 172520345

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline?
The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline (CID 134387972) is 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline.
What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline?
The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline is Cc1cccc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)cc(C)c12.
What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline?
The InChIKey is JIEBKWPKSYTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-16-9-8-12-22-24(16)17(2)13-23(26-22)19-14-18-10-6-7-11-20(18)21(15-19)25(3,4)5/h6-15H,1-5H3.
What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline?
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline has a molecular weight of 339.48 g/mol, XLogP of 6.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline is sourced from PubChem (CID 134387972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).