4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one

C25H28N2O4 — CID 118284420

IUPAC4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3
InChIKeyICAUMIFXLZXAGZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.71
Rot. Bonds7

About 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 118284420) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
PubChem CID118284420
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1
InChIInChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3
InChIKeyICAUMIFXLZXAGZ-UHFFFAOYSA-N
XLogP3.71
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 118284339
4-(4-cyclopropylphenoxy)-1-[3-(difluoromethoxy)-4-[2-(3-methylsulfonylazetidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 118284345
4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
CID 118284403
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-(4-methylphenoxy)-2H-pyrrol-5-one
CID 126651608
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine
CID 1084319
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
9-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-3-[2-(4-morpholin-4-ylphenoxy)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69216498
[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
CID 70063959

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one (CID 118284420) is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one is COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1CN1CCOCC1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is ICAUMIFXLZXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-24-16-21(7-4-20(24)17-26-12-14-30-15-13-26)27-11-10-23(25(27)28)31-22-8-5-19(6-9-22)18-2-3-18/h4-10,16,18H,2-3,11-15,17H2,1H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 420.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).