4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C21H27NO2 — CID 17285709

IUPAC4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-20(2,3)14-8-6-13(7-9-14)15-10-18(24)22-16-11-21(4,5)12-17(23)19(15)16/h6-9,15H,10-12H2,1-5H3,(H,22,24)
InChIKeyZHJBFWVOLUHRAZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds1

About 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 17285709) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID17285709
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-20(2,3)14-8-6-13(7-9-14)15-10-18(24)22-16-11-21(4,5)12-17(23)19(15)16/h6-9,15H,10-12H2,1-5H3,(H,22,24)
InChIKeyZHJBFWVOLUHRAZ-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 17285709) is 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is ZHJBFWVOLUHRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(2,3)14-8-6-13(7-9-14)15-10-18(24)22-16-11-21(4,5)12-17(23)19(15)16/h6-9,15H,10-12H2,1-5H3,(H,22,24).
What are the key properties of 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 325.45 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 17285709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).