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

C20H19FN2O4 — CID 22334277

IUPACN-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)N(C)c3ccc(F)cc3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C20H19FN2O4/c1-22-11-16(20(25)23(2)13-7-5-12(21)6-8-13)14-9-17(26-3)18(27-4)10-15(14)19(22)24/h5-11H,1-4H3
InChIKeyBLWRVFSKOACNRS-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.97
Rot. Bonds4

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

N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22334277) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22334277
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)N(C)c3ccc(F)cc3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C20H19FN2O4/c1-22-11-16(20(25)23(2)13-7-5-12(21)6-8-13)14-9-17(26-3)18(27-4)10-15(14)19(22)24/h5-11H,1-4H3
InChIKeyBLWRVFSKOACNRS-UHFFFAOYSA-N
XLogP2.97
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334275
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3244223
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334293
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422502
6,7-dimethoxy-N-methyl-N-(3-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 5322520
N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422723
N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422524
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
N-[1-(4-fluorophenyl)propyl]-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 46977355
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide (CID 22334277) is N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is COc1cc2c(C(=O)N(C)c3ccc(F)cc3)cn(C)c(=O)c2cc1OC.
What is the InChIKey of N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is BLWRVFSKOACNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-22-11-16(20(25)23(2)13-7-5-12(21)6-8-13)14-9-17(26-3)18(27-4)10-15(14)19(22)24/h5-11H,1-4H3.
What are the key properties of N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide?
N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22334277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).