N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

C21H22N2O3 — CID 53247257

IUPACN-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C(C)(C)C)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-12-9-15(21(2,3)4)18(24)10-17(12)23-20(26)14-11-22-16-8-6-5-7-13(16)19(14)25/h5-11,24H,1-4H3,(H,22,25)(H,23,26)
InChIKeyOLJJDAKLGFJIFQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.09
Rot. Bonds2

About N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 53247257) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID53247257
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C(C)(C)C)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-12-9-15(21(2,3)4)18(24)10-17(12)23-20(26)14-11-22-16-8-6-5-7-13(16)19(14)25/h5-11,24H,1-4H3,(H,22,25)(H,23,26)
InChIKeyOLJJDAKLGFJIFQ-UHFFFAOYSA-N
XLogP4.09
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(2,4-ditert-butyl-5-hydroxyphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 87461460
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
5-amino-2-tert-butyl-3-deuterio-4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenol;N-[4-tert-butyl-3-deuterio-2-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide;4-oxo-1H-quinoline-3-carboxylic acid
CID 160539867
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
N-(2,4-ditert-butyl-5-hydroxyphenyl)-6,7-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 87461618
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 53247257) is N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(C(C)(C)C)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OLJJDAKLGFJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-9-15(21(2,3)4)18(24)10-17(12)23-20(26)14-11-22-16-8-6-5-7-13(16)19(14)25/h5-11,24H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 53247257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).