N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

C25H30N2O4 — CID 59410073

IUPACN-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c2c1
InChIInChI=1S/C25H30N2O4/c1-24(2,3)17-11-18(25(4,5)6)21(28)12-20(17)27-23(30)16-13-26-19-10-14(31-7)8-9-15(19)22(16)29/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyDTPUQGGDNUHPJJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.09
Rot. Bonds3

About N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 59410073) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID59410073
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c2c1
InChIInChI=1S/C25H30N2O4/c1-24(2,3)17-11-18(25(4,5)6)21(28)12-20(17)27-23(30)16-13-26-19-10-14(31-7)8-9-15(19)22(16)29/h8-13,28H,1-7H3,(H,26,29)(H,27,30)
InChIKeyDTPUQGGDNUHPJJ-UHFFFAOYSA-N
XLogP5.09
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(2,4-ditert-butyl-5-hydroxyphenyl)-6,7-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 87461618
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-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
N-[4-tert-butyl-2-[tert-butyl(dimethyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138650069
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
CID 124506094
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-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 146019146

Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 59410073) is N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2c(=O)c(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c[nH]c2c1.
What is the InChIKey of N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DTPUQGGDNUHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-24(2,3)17-11-18(25(4,5)6)21(28)12-20(17)27-23(30)16-13-26-19-10-14(31-7)8-9-15(19)22(16)29/h8-13,28H,1-7H3,(H,26,29)(H,27,30).
What are the key properties of N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 59410073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).