1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide

C19H17FN2O6 — CID 155660331

IUPAC1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1cc2c(c(OC)c1OC)c(=O)c(C(N)=O)cn2-c1ccc(O)c(F)c1
InChIInChI=1S/C19H17FN2O6/c1-26-14-7-12-15(18(28-3)17(14)27-2)16(24)10(19(21)25)8-22(12)9-4-5-13(23)11(20)6-9/h4-8,23H,1-3H3,(H2,21,25)
InChIKeyNXCHTGDNUSBUMZ-UHFFFAOYSA-N
MW388.35 g/mol
LogP1.96
Rot. Bonds5

About 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide

1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide (PubChem CID 155660331) has the molecular formula C19H17FN2O6 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide
PubChem CID155660331
Molecular FormulaC19H17FN2O6
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1cc2c(c(OC)c1OC)c(=O)c(C(N)=O)cn2-c1ccc(O)c(F)c1
InChIInChI=1S/C19H17FN2O6/c1-26-14-7-12-15(18(28-3)17(14)27-2)16(24)10(19(21)25)8-22(12)9-4-5-13(23)11(20)6-9/h4-8,23H,1-3H3,(H2,21,25)
InChIKeyNXCHTGDNUSBUMZ-UHFFFAOYSA-N
XLogP1.96
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
2-(3-fluoro-4-hydroxyphenyl)-6,8-dimethoxyisoquinolin-1-one
CID 67465247
1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 139890805
6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
CID 174667318
ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 139890841
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
CID 174655680
(3,4-difluorophenyl)methyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092724
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82419028
1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
CID 174667346
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
CID 90373252

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide (CID 155660331) is 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide is COc1cc2c(c(OC)c1OC)c(=O)c(C(N)=O)cn2-c1ccc(O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is NXCHTGDNUSBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O6/c1-26-14-7-12-15(18(28-3)17(14)27-2)16(24)10(19(21)25)8-22(12)9-4-5-13(23)11(20)6-9/h4-8,23H,1-3H3,(H2,21,25).
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide?
1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155660331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).