1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

C24H24FN3O4 — CID 156525351

IUPAC1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCF)c2)CC3)nc1
InChIInChI=1S/C24H24FN3O4/c1-31-22-6-4-20(26-13-22)16-32-21-5-2-17-8-10-28(15-19(17)12-21)24(30)18-3-7-23(29)27(14-18)11-9-25/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyQHGUSTVZFAVBCE-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.00
Rot. Bonds7

About 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (PubChem CID 156525351) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
PubChem CID156525351
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCF)c2)CC3)nc1
InChIInChI=1S/C24H24FN3O4/c1-31-22-6-4-20(26-13-22)16-32-21-5-2-17-8-10-28(15-19(17)12-21)24(30)18-3-7-23(29)27(14-18)11-9-25/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyQHGUSTVZFAVBCE-UHFFFAOYSA-N
XLogP3.00
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one with MolForge

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Related Compounds

Razpipadon
CID 86764103
GPR84 antagonist 8
CID 71598639
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
CID 651089
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162656095
1-Butyl-4-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 25003298
1-(3-Methylbutyl)-4-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70685766
(4-Methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724960
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162650087
2-[(3-Fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162656165
2-[(3-Fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162658448
(3-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 68104887
2-(Oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684662

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (CID 156525351) is 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is COc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCF)c2)CC3)nc1.
What is the InChIKey of 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The InChIKey is QHGUSTVZFAVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-31-22-6-4-20(26-13-22)16-32-21-5-2-17-8-10-28(15-19(17)12-21)24(30)18-3-7-23(29)27(14-18)11-9-25/h2-7,12-14H,8-11,15-16H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one has a molecular weight of 437.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is sourced from PubChem (CID 156525351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).