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

C14H17NO2 — CID 81108922

IUPAC1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCC1CC1
InChIInChI=1S/C14H17NO2/c16-13-3-1-2-12-11(13)6-7-14(17)15(12)9-8-10-4-5-10/h6-7,10H,1-5,8-9H2
InChIKeyNQXFNQLBUDNTIR-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.17
Rot. Bonds3

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

1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108922) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108922
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCC1CC1
InChIInChI=1S/C14H17NO2/c16-13-3-1-2-12-11(13)6-7-14(17)15(12)9-8-10-4-5-10/h6-7,10H,1-5,8-9H2
InChIKeyNQXFNQLBUDNTIR-UHFFFAOYSA-N
XLogP2.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108922) is 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is NQXFNQLBUDNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-3-1-2-12-11(13)6-7-14(17)15(12)9-8-10-4-5-10/h6-7,10H,1-5,8-9H2.
What are the key properties of 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).