2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide

C28H28N2O2 — CID 170409345

IUPAC2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c2c(C(N)=O)cccc2n1
InChIInChI=1S/C28H28N2O2/c1-18-15-20(28(2,3)4)13-14-21(18)24-16-25(32-17-19-9-6-5-7-10-19)26-22(27(29)31)11-8-12-23(26)30-24/h5-16H,17H2,1-4H3,(H2,29,31)
InChIKeyOOLKDPQBTJZRTI-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.19
Rot. Bonds5

About 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide

2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide (PubChem CID 170409345) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide
PubChem CID170409345
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c2c(C(N)=O)cccc2n1
InChIInChI=1S/C28H28N2O2/c1-18-15-20(28(2,3)4)13-14-21(18)24-16-25(32-17-19-9-6-5-7-10-19)26-22(27(29)31)11-8-12-23(26)30-24/h5-16H,17H2,1-4H3,(H2,29,31)
InChIKeyOOLKDPQBTJZRTI-UHFFFAOYSA-N
XLogP6.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine
CID 169250298
5-(dimethylamino)-2-phenylmethoxybenzamide
CID 141273591
ethyl 2-(4-tert-butyl-2-methylphenyl)-6-fluoro-4-phenylmethoxyquinoline-3-carboxylate
CID 169256248
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
CID 169250219
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
[3-[(4-tert-butyl-2-methylphenoxy)methyl]phenyl]-dimethylborane
CID 67978602
4-methyl-6-phenylmethoxy-1,5-naphthyridine-3-carboxamide
CID 71152977
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide (CID 170409345) is 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide is Cc1cc(C(C)(C)C)ccc1-c1cc(OCc2ccccc2)c2c(C(N)=O)cccc2n1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide?
The InChIKey is OOLKDPQBTJZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-18-15-20(28(2,3)4)13-14-21(18)24-16-25(32-17-19-9-6-5-7-10-19)26-22(27(29)31)11-8-12-23(26)30-24/h5-16H,17H2,1-4H3,(H2,29,31).
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide?
2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide is sourced from PubChem (CID 170409345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).