1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione

C15H19NO3 — CID 81104415

IUPAC1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO3/c1-15(2,3)13(18)9-16-11-5-4-6-12(17)10(11)7-8-14(16)19/h7-8H,4-6,9H2,1-3H3
InChIKeyMKRZTMTZYGMJMO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds2

About 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104415) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104415
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C15H19NO3/c1-15(2,3)13(18)9-16-11-5-4-6-12(17)10(11)7-8-14(16)19/h7-8H,4-6,9H2,1-3H3
InChIKeyMKRZTMTZYGMJMO-UHFFFAOYSA-N
XLogP1.98
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104415) is 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)(C)C(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is MKRZTMTZYGMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)13(18)9-16-11-5-4-6-12(17)10(11)7-8-14(16)19/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).