4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide

C24H30N2O2 — CID 18952417

IUPAC4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
SMILESCCC1(CC)CC(=O)Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C24H30N2O2/c1-6-24(7-2)15-21(27)26-20-14-18(12-13-19(20)24)25-22(28)16-8-10-17(11-9-16)23(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyQZAMJUMJROGJMX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.64
Rot. Bonds4

About 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide

4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide (PubChem CID 18952417) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
PubChem CID18952417
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
SMILESCCC1(CC)CC(=O)Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C24H30N2O2/c1-6-24(7-2)15-21(27)26-20-14-18(12-13-19(20)24)25-22(28)16-8-10-17(11-9-16)23(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyQZAMJUMJROGJMX-UHFFFAOYSA-N
XLogP5.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide (CID 18952417) is 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide is CCC1(CC)CC(=O)Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The InChIKey is QZAMJUMJROGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-6-24(7-2)15-21(27)26-20-14-18(12-13-19(20)24)25-22(28)16-8-10-17(11-9-16)23(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide is sourced from PubChem (CID 18952417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).