N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide

C25H30N2O3 — CID 87461460

IUPACN-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c12
InChIInChI=1S/C25H30N2O3/c1-14-9-8-10-15-21(14)26-13-16(22(15)29)23(30)27-19-12-20(28)18(25(5,6)7)11-17(19)24(2,3)4/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyDSCZJEHHHZTZON-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.39
Rot. Bonds2

About N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide

N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 87461460) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID87461460
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c12
InChIInChI=1S/C25H30N2O3/c1-14-9-8-10-15-21(14)26-13-16(22(15)29)23(30)27-19-12-20(28)18(25(5,6)7)11-17(19)24(2,3)4/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyDSCZJEHHHZTZON-UHFFFAOYSA-N
XLogP5.39
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-(2,4-ditert-butyl-5-hydroxyphenyl)-6,7-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 87461618
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-[4-tert-butyl-2-[tert-butyl(dimethyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138650069
N-[2,4-bis(1,1-diiodo-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 130421660
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 146019146
1-[3-[(2,4-ditert-butyl-5-hydroxyphenyl)carbamoyl]-4-oxoquinolin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 87234729
N-(5-tert-butyl-1H-indol-6-yl)-5-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 53246179

Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 87461460) is N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide is Cc1cccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c12.
What is the InChIKey of N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DSCZJEHHHZTZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-14-9-8-10-15-21(14)26-13-16(22(15)29)23(30)27-19-12-20(28)18(25(5,6)7)11-17(19)24(2,3)4/h8-13,28H,1-7H3,(H,26,29)(H,27,30).
What are the key properties of N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 87461460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).