N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide

C24H30N2O4 — CID 163769092

About N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 163769092) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide
• PubChem CID: 163769092
• Molecular Formula: C24H30N2O4
• Molecular Weight: 410.51 g/mol
• Exact Mass: 410.22
• IUPAC Name: N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide
• SMILES: CC(C)(CO)C1=CC(C(C)(C)C)C(NC(=O)c2c[nH]c3ccccc3c2=O)C=C1O
• InChI: InChI=1S/C24H30N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,16,19,27-28H,13H2,1-5H3,(H,25,29)(H,26,30)
• InChIKey: MEWLAXUWPYWUGL-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 102.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.51
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide?

The IUPAC name of N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 163769092) is N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide is CC(C)(CO)C1=CC(C(C)(C)C)C(NC(=O)c2c[nH]c3ccccc3c2=O)C=C1O.

What is the InChIKey of N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide?

The InChIKey is MEWLAXUWPYWUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,16,19,27-28H,13H2,1-5H3,(H,25,29)(H,26,30).

What are the key properties of N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide?

N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163769092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).