N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide

C18H23N3O3 — CID 72868418

IUPACN,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C18H23N3O3/c1-12-10-16(22)14-8-6-7-9-15(14)21(12)11-17(23)20(5)13(2)18(24)19(3)4/h6-10,13H,11H2,1-5H3
InChIKeyHZYYWUPLEHJYQH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.25
Rot. Bonds4

About N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide

N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide (PubChem CID 72868418) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide
PubChem CID72868418
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N(C)C(C)C(=O)N(C)C
InChIInChI=1S/C18H23N3O3/c1-12-10-16(22)14-8-6-7-9-15(14)21(12)11-17(23)20(5)13(2)18(24)19(3)4/h6-10,13H,11H2,1-5H3
InChIKeyHZYYWUPLEHJYQH-UHFFFAOYSA-N
XLogP1.25
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide (CID 72868418) is N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide is Cc1cc(=O)c2ccccc2n1CC(=O)N(C)C(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide?
The InChIKey is HZYYWUPLEHJYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-10-16(22)14-8-6-7-9-15(14)21(12)11-17(23)20(5)13(2)18(24)19(3)4/h6-10,13H,11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide?
N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 72868418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).