N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide

C20H19FN2O2 — CID 172905785

IUPACN-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(C)cc2c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-10-23-18(19(24)22-16-8-6-15(21)7-9-16)12-14-5-4-13(2)11-17(14)20(23)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)
InChIKeyABBLPYOLWDGDDQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.11
Rot. Bonds4

About N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide

N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide (PubChem CID 172905785) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
PubChem CID172905785
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(C)cc2c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-10-23-18(19(24)22-16-8-6-15(21)7-9-16)12-14-5-4-13(2)11-17(14)20(23)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)
InChIKeyABBLPYOLWDGDDQ-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904651
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354
6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 171998675
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172905779
2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide
CID 175651029

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide (CID 172905785) is N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide is CCCn1c(C(=O)Nc2ccc(F)cc2)cc2ccc(C)cc2c1=O.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The InChIKey is ABBLPYOLWDGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-10-23-18(19(24)22-16-8-6-15(21)7-9-16)12-14-5-4-13(2)11-17(14)20(23)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 172905785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).