2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C27H23F3N2O2 — CID 102496663

IUPAC2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C27H23F3N2O2/c1-26(2,3)18-9-12-20(13-10-18)34-23-14-11-19(27(28,29)30)16-21(23)25(33)32-22-8-4-6-17-7-5-15-31-24(17)22/h4-16H,1-3H3,(H,32,33)
InChIKeyDQODRVWDHSFORO-UHFFFAOYSA-N
MW464.49 g/mol
LogP7.60
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 102496663) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID102496663
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C27H23F3N2O2/c1-26(2,3)18-9-12-20(13-10-18)34-23-14-11-19(27(28,29)30)16-21(23)25(33)32-22-8-4-6-17-7-5-15-31-24(17)22/h4-16H,1-3H3,(H,32,33)
InChIKeyDQODRVWDHSFORO-UHFFFAOYSA-N
XLogP7.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ibcasertib
CID 49779393
Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
N-(6,8,8-Trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-ethoxybenzamide
CID 9844292
N-(8,8-Dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-isopropoxybenzamide
CID 23508144
N-(8,8-Dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-ethoxybenzamide
CID 23508174
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-4-nitro-3-(trifluoromethyl)benzamide
CID 44511359

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 102496663) is 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is DQODRVWDHSFORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c1-26(2,3)18-9-12-20(13-10-18)34-23-14-11-19(27(28,29)30)16-21(23)25(33)32-22-8-4-6-17-7-5-15-31-24(17)22/h4-16H,1-3H3,(H,32,33).
What are the key properties of 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 464.49 g/mol, XLogP of 7.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 102496663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).