4-tert-butyl-N-quinolin-5-ylbenzamide

C20H20N2O — CID 2103217

IUPAC4-tert-butyl-N-quinolin-5-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)15-11-9-14(10-12-15)19(23)22-18-8-4-7-17-16(18)6-5-13-21-17/h4-13H,1-3H3,(H,22,23)
InChIKeyRHSGOMCGIGMUBD-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.78
Rot. Bonds2

About 4-tert-butyl-N-quinolin-5-ylbenzamide

4-tert-butyl-N-quinolin-5-ylbenzamide (PubChem CID 2103217) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-tert-butyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-quinolin-5-ylbenzamide
PubChem CID2103217
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-tert-butyl-N-quinolin-5-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)15-11-9-14(10-12-15)19(23)22-18-8-4-7-17-16(18)6-5-13-21-17/h4-13H,1-3H3,(H,22,23)
InChIKeyRHSGOMCGIGMUBD-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indoramin
CID 33625
Indoramin hydrochloride
CID 38102
SB 222200
CID 6604009
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CID 57519544
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
4-Methyl-N-4-pyridinylbenzamide
CID 84517
SN 6999
CID 149449

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-quinolin-5-ylbenzamide (CID 2103217) is 4-tert-butyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-quinolin-5-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-quinolin-5-ylbenzamide?
The InChIKey is RHSGOMCGIGMUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)15-11-9-14(10-12-15)19(23)22-18-8-4-7-17-16(18)6-5-13-21-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-quinolin-5-ylbenzamide?
4-tert-butyl-N-quinolin-5-ylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 2103217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).