2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C25H27N3O4 — CID 17251163

IUPAC2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C25H27N3O4/c1-17(2)18-7-9-19(10-8-18)26-23(29)16-28-22-6-4-3-5-20(22)21(15-24(28)30)25(31)27-11-13-32-14-12-27/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyAKZLFHGMLQCHRO-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.24
Rot. Bonds5

About 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 17251163) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID17251163
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C25H27N3O4/c1-17(2)18-7-9-19(10-8-18)26-23(29)16-28-22-6-4-3-5-20(22)21(15-24(28)30)25(31)27-11-13-32-14-12-27/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyAKZLFHGMLQCHRO-UHFFFAOYSA-N
XLogP3.24
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 17251163) is 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AKZLFHGMLQCHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17(2)18-7-9-19(10-8-18)26-23(29)16-28-22-6-4-3-5-20(22)21(15-24(28)30)25(31)27-11-13-32-14-12-27/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 17251163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).