3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C25H24FN3O3 — CID 4070866

IUPAC3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(C)n2)C1c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c1-16-6-5-9-21(27-16)28-24(30)22-19-7-3-4-8-20(19)25(31)29(14-15-32-2)23(22)17-10-12-18(26)13-11-17/h3-13,22-23H,14-15H2,1-2H3,(H,27,28,30)
InChIKeyNUVIPXXNCHPZIM-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.09
Rot. Bonds6

About 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 4070866) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID4070866
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(C)n2)C1c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c1-16-6-5-9-21(27-16)28-24(30)22-19-7-3-4-8-20(19)25(31)29(14-15-32-2)23(22)17-10-12-18(26)13-11-17/h3-13,22-23H,14-15H2,1-2H3,(H,27,28,30)
InChIKeyNUVIPXXNCHPZIM-UHFFFAOYSA-N
XLogP4.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10871043
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
(S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52942701
9-fluoro-6-(isopropylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52944434
6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 52949798
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
N-[3-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295877

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 4070866) is 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(C)n2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is NUVIPXXNCHPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-16-6-5-9-21(27-16)28-24(30)22-19-7-3-4-8-20(19)25(31)29(14-15-32-2)23(22)17-10-12-18(26)13-11-17/h3-13,22-23H,14-15H2,1-2H3,(H,27,28,30).
What are the key properties of 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 4070866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).