2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide

C18H14F2N2O2 — CID 172904651

IUPAC2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14F2N2O2/c1-2-22-16(17(23)21-14-7-5-12(19)6-8-14)9-11-3-4-13(20)10-15(11)18(22)24/h3-10H,2H2,1H3,(H,21,23)
InChIKeyZUGGIFZMVHIGQM-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.55
Rot. Bonds3

About 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide

2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 172904651) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID172904651
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14F2N2O2/c1-2-22-16(17(23)21-14-7-5-12(19)6-8-14)9-11-3-4-13(20)10-15(11)18(22)24/h3-10H,2H2,1H3,(H,21,23)
InChIKeyZUGGIFZMVHIGQM-UHFFFAOYSA-N
XLogP3.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
CID 175651957
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
N-(4-fluorophenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3670742
1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
CID 118001712
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide (CID 172904651) is 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide is CCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(F)cc2c1=O.
What is the InChIKey of 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is ZUGGIFZMVHIGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-2-22-16(17(23)21-14-7-5-12(19)6-8-14)9-11-3-4-13(20)10-15(11)18(22)24/h3-10H,2H2,1H3,(H,21,23).
What are the key properties of 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide?
2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172904651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).