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

C25H30N2O3 — CID 146019146

IUPACN-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)Nc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H30N2O3/c1-14-21(22(29)15-10-8-9-11-18(15)26-14)23(30)27-19-13-20(28)17(25(5,6)7)12-16(19)24(2,3)4/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyOGWJXOUWEBEXAA-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.39
Rot. Bonds2

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

N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 146019146) 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)-2-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID146019146
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)Nc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H30N2O3/c1-14-21(22(29)15-10-8-9-11-18(15)26-14)23(30)27-19-13-20(28)17(25(5,6)7)12-16(19)24(2,3)4/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyOGWJXOUWEBEXAA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 87461460
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-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
1-[3-[(2,4-ditert-butyl-5-hydroxyphenyl)carbamoyl]-4-oxoquinolin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 87234729
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)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
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-5-hydroxy-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 167163845
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690

Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 146019146) is N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide is Cc1[nH]c2ccccc2c(=O)c1C(=O)Nc1cc(O)c(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OGWJXOUWEBEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-14-21(22(29)15-10-8-9-11-18(15)26-14)23(30)27-19-13-20(28)17(25(5,6)7)12-16(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)-2-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-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)-2-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146019146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).