2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

C16H14ClFN2O3 — CID 54707915

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H14ClFN2O3/c1-19-7-9-5-6-20(15(22)13(9)14(21)16(19)23)8-10-11(17)3-2-4-12(10)18/h2-4,7,21H,5-6,8H2,1H3
InChIKeyFYRIGYRIXJBXHN-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.08
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 54707915) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID54707915
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H14ClFN2O3/c1-19-7-9-5-6-20(15(22)13(9)14(21)16(19)23)8-10-11(17)3-2-4-12(10)18/h2-4,7,21H,5-6,8H2,1H3
InChIKeyFYRIGYRIXJBXHN-UHFFFAOYSA-N
XLogP2.08
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione with MolForge

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Related Compounds

6-(3-Chloro-4-Fluorobenzyl)-4-Hydroxy-N,N-Dimethyl-2-(1-Methylethyl)-3,5-Dioxo-2,3,5,6,7,8-Hexahydro-2,6-Naphthyridine-1-Carboxamide
CID 54680316
6-[(3-chloro-4-fluoro-phenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692271
2-[(3-Chloro-4-fluorophenyl)methyl]-4-hydroxy-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizine-1,3,5-trione
CID 54732232
9-(2-Chloro-5-fluorobenzyl)-2-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70774700
6-[(3-chloro-4-fluoro-phenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54681873
6-[(3-chloro-4-fluoro-phenyl)methyl]-4-hydroxy-2-isobutyl-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54681876
2-[(3-Chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54683308
2-[(3,4-Dichlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54683527
1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54698184
8-Hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione
CID 54705331
5-[(3-Chloro-4-fluorophenyl)methyl]-8-hydroxy-11,15-dimethyl-5,10,15-triazatricyclo[8.6.0.02,7]hexadeca-1,7-diene-6,9,16-trione
CID 54714200
2-(3-Chloro-4-fluorobenzyl)-5-cyclopropyl-8-hydroxy-6-methyl-2,3,4,6-tetrahydro-2,6-naphthyridine-1,7-dione
CID 54681837

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 54707915) is 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is Cn1cc2c(c(O)c1=O)C(=O)N(Cc1c(F)cccc1Cl)CC2.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is FYRIGYRIXJBXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-19-7-9-5-6-20(15(22)13(9)14(21)16(19)23)8-10-11(17)3-2-4-12(10)18/h2-4,7,21H,5-6,8H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 336.75 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 54707915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).