1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C17H16FNO2 — CID 114346253

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cc(F)ccc1Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C17H16FNO2/c1-11-9-13(18)6-5-12(11)10-19-15-3-2-4-16(20)14(15)7-8-17(19)21/h5-9H,2-4,10H2,1H3
InChIKeyXSNVIEOCAKIZTA-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.86
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 114346253) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID114346253
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cc(F)ccc1Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C17H16FNO2/c1-11-9-13(18)6-5-12(11)10-19-15-3-2-4-16(20)14(15)7-8-17(19)21/h5-9H,2-4,10H2,1H3
InChIKeyXSNVIEOCAKIZTA-UHFFFAOYSA-N
XLogP2.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115983071
1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115982088
1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
CID 55053043
1-(2-methylprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 10398444
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 104798521
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104415
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885
1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109377

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 114346253) is 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is Cc1cc(F)ccc1Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is XSNVIEOCAKIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-9-13(18)6-5-12(11)10-19-15-3-2-4-16(20)14(15)7-8-17(19)21/h5-9H,2-4,10H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 285.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 114346253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).