2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide

C26H40N2O4 — CID 24785097

IUPAC2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCCCCO)CCC(C)C)c2c1
InChIInChI=1S/C26H40N2O4/c1-19(2)12-14-27(13-8-7-9-15-29)24(30)18-28-23-17-21(32-6)11-10-20(23)16-22(25(28)31)26(3,4)5/h10-11,16-17,19,29H,7-9,12-15,18H2,1-6H3
InChIKeyBBXQWZAGIPHDJL-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.34
Rot. Bonds11

About 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide

2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide (PubChem CID 24785097) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide
PubChem CID24785097
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Name2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCCCCO)CCC(C)C)c2c1
InChIInChI=1S/C26H40N2O4/c1-19(2)12-14-27(13-8-7-9-15-29)24(30)18-28-23-17-21(32-6)11-10-20(23)16-22(25(28)31)26(3,4)5/h10-11,16-17,19,29H,7-9,12-15,18H2,1-6H3
InChIKeyBBXQWZAGIPHDJL-UHFFFAOYSA-N
XLogP4.34
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide (CID 24785097) is 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide is COc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCCCCO)CCC(C)C)c2c1.
What is the InChIKey of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide?
The InChIKey is BBXQWZAGIPHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4/c1-19(2)12-14-27(13-8-7-9-15-29)24(30)18-28-23-17-21(32-6)11-10-20(23)16-22(25(28)31)26(3,4)5/h10-11,16-17,19,29H,7-9,12-15,18H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide?
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide has a molecular weight of 444.62 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 24785097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).