2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide

C14H18N2O3 — CID 81108836

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H18N2O3/c1-3-15(2)14(19)9-16-11-5-4-6-12(17)10(11)7-8-13(16)18/h7-8H,3-6,9H2,1-2H3
InChIKeyPAVAHXQSPZYPDW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds3

About 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 81108836) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID81108836
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H18N2O3/c1-3-15(2)14(19)9-16-11-5-4-6-12(17)10(11)7-8-13(16)18/h7-8H,3-6,9H2,1-2H3
InChIKeyPAVAHXQSPZYPDW-UHFFFAOYSA-N
XLogP0.85
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
1-(2,2-difluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104270
1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104411
1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104970
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81107887
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165
1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 113326496
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-1-propyl-
CID 10013187
5,6,7,8-tetrahydro-1-(3-methyl-2-butenyl)-5-oxo-2(1H)-quinolinone
CID 10105297
5,6,7,8-tetrahydro-5-oxo-1-(2-propenyl)-2(1H)-quinolinone
CID 10330512

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide (CID 81108836) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is PAVAHXQSPZYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-15(2)14(19)9-16-11-5-4-6-12(17)10(11)7-8-13(16)18/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81108836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).