N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide

C26H24N2O — CID 58639670

IUPACN-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)22-12-14-23(15-13-22)28-25(29)19-10-8-18(9-11-19)21-16-20-6-4-5-7-24(20)27-17-21/h4-17H,1-3H3,(H,28,29)
InChIKeyHOQDGVDUVSLKQE-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.45
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide

N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide (PubChem CID 58639670) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
PubChem CID58639670
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC NameN-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)22-12-14-23(15-13-22)28-25(29)19-10-8-18(9-11-19)21-16-20-6-4-5-7-24(20)27-17-21/h4-17H,1-3H3,(H,28,29)
InChIKeyHOQDGVDUVSLKQE-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-(1-oxidoquinolin-1-ium-3-yl)benzamide;4-tert-butyl-N-quinolin-3-ylbenzamide
CID 161377492
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide (CID 58639670) is N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3cnc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide?
The InChIKey is HOQDGVDUVSLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-26(2,3)22-12-14-23(15-13-22)28-25(29)19-10-8-18(9-11-19)21-16-20-6-4-5-7-24(20)27-17-21/h4-17H,1-3H3,(H,28,29).
What are the key properties of N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide?
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide is sourced from PubChem (CID 58639670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).