1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C16H13ClFNO2 — CID 115983071

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cccc(F)c1Cl
InChIInChI=1S/C16H13ClFNO2/c17-16-10(3-1-4-12(16)18)9-19-13-5-2-6-14(20)11(13)7-8-15(19)21/h1,3-4,7-8H,2,5-6,9H2
InChIKeyZWTGMGGWGJBEOY-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.21
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 115983071) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID115983071
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cccc(F)c1Cl
InChIInChI=1S/C16H13ClFNO2/c17-16-10(3-1-4-12(16)18)9-19-13-5-2-6-14(20)11(13)7-8-15(19)21/h1,3-4,7-8H,2,5-6,9H2
InChIKeyZWTGMGGWGJBEOY-UHFFFAOYSA-N
XLogP3.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109153
1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108824
1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 114346253
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115982088
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885
1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 104798521
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
CID 81108836

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 115983071) is 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is ZWTGMGGWGJBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-16-10(3-1-4-12(16)18)9-19-13-5-2-6-14(20)11(13)7-8-15(19)21/h1,3-4,7-8H,2,5-6,9H2.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 305.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 115983071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).