7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide

C18H15FN2O2 — CID 172904623

IUPAC7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc(F)cc3c(=O)n2C)cc1
InChIInChI=1S/C18H15FN2O2/c1-11-3-7-14(8-4-11)20-17(22)16-9-12-5-6-13(19)10-15(12)18(23)21(16)2/h3-10H,1-2H3,(H,20,22)
InChIKeyNMQNOURAWBDUOY-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.24
Rot. Bonds2

About 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide

7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 172904623) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID172904623
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc(F)cc3c(=O)n2C)cc1
InChIInChI=1S/C18H15FN2O2/c1-11-3-7-14(8-4-11)20-17(22)16-9-12-5-6-13(19)10-15(12)18(23)21(16)2/h3-10H,1-2H3,(H,20,22)
InChIKeyNMQNOURAWBDUOY-UHFFFAOYSA-N
XLogP3.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.24
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
2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904651
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 171999932
N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172905779
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
CID 175651957
5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134440
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
6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide
CID 171996999
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide (CID 172904623) is 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccc(F)cc3c(=O)n2C)cc1.
What is the InChIKey of 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is NMQNOURAWBDUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-3-7-14(8-4-11)20-17(22)16-9-12-5-6-13(19)10-15(12)18(23)21(16)2/h3-10H,1-2H3,(H,20,22).
What are the key properties of 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172904623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).