N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

C19H17FN2O2 — CID 22334699

IUPACN-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1F
InChIInChI=1S/C19H17FN2O2/c1-3-22(17-11-7-6-10-16(17)20)19(24)15-12-21(2)18(23)14-9-5-4-8-13(14)15/h4-12H,3H2,1-2H3
InChIKeyMGHOOUQDTLPPHP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.34
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22334699) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22334699
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1F
InChIInChI=1S/C19H17FN2O2/c1-3-22(17-11-7-6-10-16(17)20)19(24)15-12-21(2)18(23)14-9-5-4-8-13(14)15/h4-12H,3H2,1-2H3
InChIKeyMGHOOUQDTLPPHP-UHFFFAOYSA-N
XLogP3.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 22334699) is N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is MGHOOUQDTLPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-22(17-11-7-6-10-16(17)20)19(24)15-12-21(2)18(23)14-9-5-4-8-13(14)15/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22334699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).