3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide

C30H31ClN2O2 — CID 22403898

IUPAC3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H31ClN2O2/c1-29(2,3)22-14-19(15-23(27(22)34)30(4,5)6)28(35)33-25-17-32-24-13-12-20(31)16-21(24)26(25)18-10-8-7-9-11-18/h7-17,34H,1-6H3,(H,33,35)
InChIKeyFTJKINUPIFKHCC-UHFFFAOYSA-N
MW487.04 g/mol
LogP8.11
Rot. Bonds3

About 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide

3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide (PubChem CID 22403898) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
PubChem CID22403898
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC Name3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H31ClN2O2/c1-29(2,3)22-14-19(15-23(27(22)34)30(4,5)6)28(35)33-25-17-32-24-13-12-20(31)16-21(24)26(25)18-10-8-7-9-11-18/h7-17,34H,1-6H3,(H,33,35)
InChIKeyFTJKINUPIFKHCC-UHFFFAOYSA-N
XLogP8.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
N-(6-chloro-4-phenylquinolin-3-yl)-2-phenylacetamide
CID 54395072
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 134094104
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
3,5-ditert-butyl-N-[2-(dibenzylcarbamoylamino)phenyl]-4-hydroxybenzamide
CID 23370061
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-(2-tert-butylphenyl)-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268205

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide (CID 22403898) is 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide is CC(C)(C)c1cc(C(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide?
The InChIKey is FTJKINUPIFKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c1-29(2,3)22-14-19(15-23(27(22)34)30(4,5)6)28(35)33-25-17-32-24-13-12-20(31)16-21(24)26(25)18-10-8-7-9-11-18/h7-17,34H,1-6H3,(H,33,35).
What are the key properties of 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide?
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide has a molecular weight of 487.04 g/mol, XLogP of 8.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide is sourced from PubChem (CID 22403898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).