N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide

C20H26N2O3 — CID 157238206

IUPACN-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide
SMILESCCn1c(=O)c(CC(C)=O)c(C)c2ccc(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C20H26N2O3/c1-7-22-17-11-14(21-19(25)20(4,5)6)8-9-15(17)13(3)16(18(22)24)10-12(2)23/h8-9,11H,7,10H2,1-6H3,(H,21,25)
InChIKeyITXVQMQSBZEGPK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.45
Rot. Bonds4

About N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide

N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide (PubChem CID 157238206) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide
PubChem CID157238206
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide
SMILESCCn1c(=O)c(CC(C)=O)c(C)c2ccc(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C20H26N2O3/c1-7-22-17-11-14(21-19(25)20(4,5)6)8-9-15(17)13(3)16(18(22)24)10-12(2)23/h8-9,11H,7,10H2,1-6H3,(H,21,25)
InChIKeyITXVQMQSBZEGPK-UHFFFAOYSA-N
XLogP3.45
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide (CID 157238206) is N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide is CCn1c(=O)c(CC(C)=O)c(C)c2ccc(NC(=O)C(C)(C)C)cc21.
What is the InChIKey of N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide?
The InChIKey is ITXVQMQSBZEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-7-22-17-11-14(21-19(25)20(4,5)6)8-9-15(17)13(3)16(18(22)24)10-12(2)23/h8-9,11H,7,10H2,1-6H3,(H,21,25).
What are the key properties of N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide?
N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-4-methyl-2-oxo-3-(2-oxopropyl)quinolin-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 157238206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).