N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide

C18H14F2N2O3 — CID 172905779

IUPACN-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOn1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(C)cc2c1=O
InChIInChI=1S/C18H14F2N2O3/c1-10-3-4-11-8-16(22(25-2)18(24)13(11)7-10)17(23)21-15-6-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,21,23)
InChIKeyXRDDSNJNXDDINO-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.90
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide

N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 172905779) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID172905779
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOn1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(C)cc2c1=O
InChIInChI=1S/C18H14F2N2O3/c1-10-3-4-11-8-16(22(25-2)18(24)13(11)7-10)17(23)21-15-6-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,21,23)
InChIKeyXRDDSNJNXDDINO-UHFFFAOYSA-N
XLogP2.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
CID 175651957
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide (CID 172905779) is N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide is COn1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(C)cc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is XRDDSNJNXDDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-10-3-4-11-8-16(22(25-2)18(24)13(11)7-10)17(23)21-15-6-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide?
N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172905779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).