6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione

C19H22FNO2 — CID 51349402

IUPAC6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
SMILESCC(C)=CCC1(CC=C(C)C)C(=O)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C19H22FNO2/c1-12(2)7-9-19(10-8-13(3)4)17(22)15-11-14(20)5-6-16(15)21-18(19)23/h5-8,11H,9-10H2,1-4H3,(H,21,23)
InChIKeyQDMKOAXKYGAISQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.66
Rot. Bonds4

About 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione

6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione (PubChem CID 51349402) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
PubChem CID51349402
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
SMILESCC(C)=CCC1(CC=C(C)C)C(=O)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C19H22FNO2/c1-12(2)7-9-19(10-8-13(3)4)17(22)15-11-14(20)5-6-16(15)21-18(19)23/h5-8,11H,9-10H2,1-4H3,(H,21,23)
InChIKeyQDMKOAXKYGAISQ-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-diazido-6-fluoro-1H-quinoline-2,4-dione
CID 2786230
2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one
CID 177460445
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
5-fluoro-2-hydroxy-1,2-dihydroindol-3-one
CID 129015122
5-fluoro-3-methoxyimino-1H-indol-2-one
CID 137234814
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
2-(7-fluoro-1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)acetic acid
CID 82093591
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744
(3R)-3-(3,3-dimethoxy-2-oxopropyl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 102435621
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
CID 166482233

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The IUPAC name of 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione (CID 51349402) is 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione.
What is the SMILES notation for 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The canonical SMILES for 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione is CC(C)=CCC1(CC=C(C)C)C(=O)Nc2ccc(F)cc2C1=O.
What is the InChIKey of 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The InChIKey is QDMKOAXKYGAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-12(2)7-9-19(10-8-13(3)4)17(22)15-11-14(20)5-6-16(15)21-18(19)23/h5-8,11H,9-10H2,1-4H3,(H,21,23).
What are the key properties of 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione has a molecular weight of 315.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione is sourced from PubChem (CID 51349402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).