N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide

C25H20F2N2O5 — CID 139890824

IUPACN-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)N(C)c3cc(F)cc(F)c3)c(O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C25H20F2N2O5/c1-28(17-11-14(26)10-15(27)12-17)24(31)22-23(30)20-9-8-19(34-3)13-21(20)29(25(22)32)16-4-6-18(33-2)7-5-16/h4-13,30H,1-3H3
InChIKeyBJJHLEIWZQKLFA-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.27
Rot. Bonds5

About N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide

N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 139890824) has the molecular formula C25H20F2N2O5 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
PubChem CID139890824
Molecular FormulaC25H20F2N2O5
Molecular Weight466.44 g/mol
Exact Mass466.13
IUPAC NameN-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)N(C)c3cc(F)cc(F)c3)c(O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C25H20F2N2O5/c1-28(17-11-14(26)10-15(27)12-17)24(31)22-23(30)20-9-8-19(34-3)13-21(20)29(25(22)32)16-4-6-18(33-2)7-5-16/h4-13,30H,1-3H3
InChIKeyBJJHLEIWZQKLFA-UHFFFAOYSA-N
XLogP4.27
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890765
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
CID 66920511
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
CID 139963965
4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54721949
europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate
CID 177066372
1-(3-cyano-4-methylphenyl)-4-hydroxy-7-methoxy-2-oxoquinoline-3-carbonitrile
CID 59273502
10-hydroxy-7-methoxy-N-methyl-4,12-dioxo-N-phenyl-4λ4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 54734235
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
CID 140970646
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 59240966

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide (CID 139890824) is N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide is COc1ccc(-n2c(=O)c(C(=O)N(C)c3cc(F)cc(F)c3)c(O)c3ccc(OC)cc32)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is BJJHLEIWZQKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O5/c1-28(17-11-14(26)10-15(27)12-17)24(31)22-23(30)20-9-8-19(34-3)13-21(20)29(25(22)32)16-4-6-18(33-2)7-5-16/h4-13,30H,1-3H3.
What are the key properties of N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 139890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).