1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione

C13H17NO4 — CID 81104271

IUPAC1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOC(Cn1c2c(ccc1=O)C(=O)CCC2)OC
InChIInChI=1S/C13H17NO4/c1-17-13(18-2)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7,13H,3-5,8H2,1-2H3
InChIKeyFDDNVFANFJNBIG-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.99
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104271) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104271
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOC(Cn1c2c(ccc1=O)C(=O)CCC2)OC
InChIInChI=1S/C13H17NO4/c1-17-13(18-2)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7,13H,3-5,8H2,1-2H3
InChIKeyFDDNVFANFJNBIG-UHFFFAOYSA-N
XLogP0.99
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104271) is 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is COC(Cn1c2c(ccc1=O)C(=O)CCC2)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is FDDNVFANFJNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-13(18-2)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 251.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).