2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one

C24H24N2O3 — CID 169002889

IUPAC2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one
SMILESCN1Cc2c(cccc2-c2ccccc2-c2ccc(CN3CCOCC3)o2)C1=O
InChIInChI=1S/C24H24N2O3/c1-25-16-22-19(7-4-8-21(22)24(25)27)18-5-2-3-6-20(18)23-10-9-17(29-23)15-26-11-13-28-14-12-26/h2-10H,11-16H2,1H3
InChIKeyBXGDVUTZACQIFZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one

2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one (PubChem CID 169002889) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one
PubChem CID169002889
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one
SMILESCN1Cc2c(cccc2-c2ccccc2-c2ccc(CN3CCOCC3)o2)C1=O
InChIInChI=1S/C24H24N2O3/c1-25-16-22-19(7-4-8-21(22)24(25)27)18-5-2-3-6-20(18)23-10-9-17(29-23)15-26-11-13-28-14-12-26/h2-10H,11-16H2,1H3
InChIKeyBXGDVUTZACQIFZ-UHFFFAOYSA-N
XLogP4.03
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-[5-(methylaminomethyl)furan-2-yl]phenyl]-3H-isoindol-1-one
CID 169002894
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
5-methyl-1-(morpholin-4-ylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one
CID 138387857
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
CID 142747429
2-[5-[(9,9-dimethyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)methyl]furan-2-yl]benzonitrile
CID 138387730
10-methyl-13-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110075599
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
5-bromo-2-methyl-3,4-dihydroisoquinolin-1-one;2,2-dimethyl-1,3-dioxolane
CID 143954084
(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
CID 70951099
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one (CID 169002889) is 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one is CN1Cc2c(cccc2-c2ccccc2-c2ccc(CN3CCOCC3)o2)C1=O.
What is the InChIKey of 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one?
The InChIKey is BXGDVUTZACQIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-25-16-22-19(7-4-8-21(22)24(25)27)18-5-2-3-6-20(18)23-10-9-17(29-23)15-26-11-13-28-14-12-26/h2-10H,11-16H2,1H3.
What are the key properties of 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one?
2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one has a molecular weight of 388.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 169002889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).