4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide

C24H24N2O2 — CID 90580086

IUPAC4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C24H24N2O2/c1-24(2,3)20-11-8-19(9-12-20)23(27)26-14-4-5-16-28-21-13-10-18-7-6-15-25-22(18)17-21/h6-13,15,17H,14,16H2,1-3H3,(H,26,27)
InChIKeyRVZCWLMIIBUSGM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.34
Rot. Bonds4

About 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide

4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide (PubChem CID 90580086) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
PubChem CID90580086
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C24H24N2O2/c1-24(2,3)20-11-8-19(9-12-20)23(27)26-14-4-5-16-28-21-13-10-18-7-6-15-25-22(18)17-21/h6-13,15,17H,14,16H2,1-3H3,(H,26,27)
InChIKeyRVZCWLMIIBUSGM-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580109
N-(4-quinolin-7-yloxybut-2-ynyl)-1,3-benzothiazole-6-carboxamide
CID 90580027
2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
2,3-dimethoxy-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580096
2-phenoxy-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580039
4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
CID 90580032
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
1-(2-ethoxyphenyl)-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580295
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide (CID 90580086) is 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide is CC(C)(C)c1ccc(C(=O)NCC#CCOc2ccc3cccnc3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The InChIKey is RVZCWLMIIBUSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-24(2,3)20-11-8-19(9-12-20)23(27)26-14-4-5-16-28-21-13-10-18-7-6-15-25-22(18)17-21/h6-13,15,17H,14,16H2,1-3H3,(H,26,27).
What are the key properties of 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide is sourced from PubChem (CID 90580086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).