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

C26H32N2O3 — CID 170149541

IUPACN-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc(N(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H32N2O3/c1-25(2,3)18-13-19(26(4,5)6)22(31-8)14-21(18)28(7)24(30)17-15-27-20-12-10-9-11-16(20)23(17)29/h9-15H,1-8H3,(H,27,29)
InChIKeyYOWXENDFDWORIR-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.41
Rot. Bonds3

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

N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 170149541) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID170149541
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc(N(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H32N2O3/c1-25(2,3)18-13-19(26(4,5)6)22(31-8)14-21(18)28(7)24(30)17-15-27-20-12-10-9-11-16(20)23(17)29/h9-15H,1-8H3,(H,27,29)
InChIKeyYOWXENDFDWORIR-UHFFFAOYSA-N
XLogP5.41
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778

Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 170149541) is N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide is COc1cc(N(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YOWXENDFDWORIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-25(2,3)18-13-19(26(4,5)6)22(31-8)14-21(18)28(7)24(30)17-15-27-20-12-10-9-11-16(20)23(17)29/h9-15H,1-8H3,(H,27,29).
What are the key properties of N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butyl-5-methoxyphenyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).