4-tert-butyl-N-quinolin-3-ylbenzamide

C20H20N2O — CID 797382

IUPAC4-tert-butyl-N-quinolin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)16-10-8-14(9-11-16)19(23)22-17-12-15-6-4-5-7-18(15)21-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyMUZWQZALZQTMBA-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.78
Rot. Bonds2

About 4-tert-butyl-N-quinolin-3-ylbenzamide

4-tert-butyl-N-quinolin-3-ylbenzamide (PubChem CID 797382) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-tert-butyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-quinolin-3-ylbenzamide
PubChem CID797382
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-tert-butyl-N-quinolin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)16-10-8-14(9-11-16)19(23)22-17-12-15-6-4-5-7-18(15)21-13-17/h4-13H,1-3H3,(H,22,23)
InChIKeyMUZWQZALZQTMBA-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-quinolin-3-ylbenzamide (CID 797382) is 4-tert-butyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-quinolin-3-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-quinolin-3-ylbenzamide?
The InChIKey is MUZWQZALZQTMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)16-10-8-14(9-11-16)19(23)22-17-12-15-6-4-5-7-18(15)21-13-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-quinolin-3-ylbenzamide?
4-tert-butyl-N-quinolin-3-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-3-ylbenzamide is sourced from PubChem (CID 797382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).