2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide

C24H25N3O3 — CID 134537531

IUPAC2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NC(C)=O)ccc21
InChIInChI=1S/C24H25N3O3/c1-4-27-22-12-11-17(13-20(22)19(14-23(27)29)16-9-10-16)26(3)24(30)18-7-5-6-8-21(18)25-15(2)28/h5-8,11-14,16H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyDFTKRSUZVNONKE-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.13
Rot. Bonds5

About 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide

2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide (PubChem CID 134537531) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
PubChem CID134537531
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NC(C)=O)ccc21
InChIInChI=1S/C24H25N3O3/c1-4-27-22-12-11-17(13-20(22)19(14-23(27)29)16-9-10-16)26(3)24(30)18-7-5-6-8-21(18)25-15(2)28/h5-8,11-14,16H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyDFTKRSUZVNONKE-UHFFFAOYSA-N
XLogP4.13
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The IUPAC name of 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide (CID 134537531) is 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide.
What is the SMILES notation for 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The canonical SMILES for 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide is CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3NC(C)=O)ccc21.
What is the InChIKey of 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The InChIKey is DFTKRSUZVNONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-4-27-22-12-11-17(13-20(22)19(14-23(27)29)16-9-10-16)26(3)24(30)18-7-5-6-8-21(18)25-15(2)28/h5-8,11-14,16H,4,9-10H2,1-3H3,(H,25,28).
What are the key properties of 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide is sourced from PubChem (CID 134537531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).