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

C14H19NO3 — CID 81104830

IUPAC1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)OCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-8-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyIEZMILKKXHWEOK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds4

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

1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104830) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104830
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)OCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-8-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyIEZMILKKXHWEOK-UHFFFAOYSA-N
XLogP1.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104830) is 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)OCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is IEZMILKKXHWEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-9-8-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).