N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C21H21FN2O4 — CID 22334275

IUPACN-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O4/c1-5-24(14-8-6-13(22)7-9-14)21(26)17-12-23(2)20(25)16-11-19(28-4)18(27-3)10-15(16)17/h6-12H,5H2,1-4H3
InChIKeyKJKGUAIHTLPYCL-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22334275) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22334275
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O4/c1-5-24(14-8-6-13(22)7-9-14)21(26)17-12-23(2)20(25)16-11-19(28-4)18(27-3)10-15(16)17/h6-12H,5H2,1-4H3
InChIKeyKJKGUAIHTLPYCL-UHFFFAOYSA-N
XLogP3.36
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 22334277
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3244223
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22334282
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
5-(azepan-1-ylsulfonyl)-N-ethyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 55382547
N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422524
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-ethyl-N-(4-fluorophenyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 86827874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 22334275) is N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is KJKGUAIHTLPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-5-24(14-8-6-13(22)7-9-14)21(26)17-12-23(2)20(25)16-11-19(28-4)18(27-3)10-15(16)17/h6-12H,5H2,1-4H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22334275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).