4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one

C23H24Cl2N2O4 — CID 24887519

IUPAC4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1
InChIInChI=1S/C23H24Cl2N2O4/c1-29-21-5-3-17(15-22(21)31-13-10-26-8-11-30-12-9-26)27-7-6-18(23(27)28)16-2-4-19(24)20(25)14-16/h2-6,14-15H,7-13H2,1H3
InChIKeyPBEBNQYLOCTQOU-UHFFFAOYSA-N
MW463.36 g/mol
LogP4.14
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one

4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 24887519) has the molecular formula C23H24Cl2N2O4 and a molecular weight of 463.36 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID24887519
Molecular FormulaC23H24Cl2N2O4
Molecular Weight463.36 g/mol
Exact Mass462.11
IUPAC Name4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1
InChIInChI=1S/C23H24Cl2N2O4/c1-29-21-5-3-17(15-22(21)31-13-10-26-8-11-30-12-9-26)27-7-6-18(23(27)28)16-2-4-19(24)20(25)14-16/h2-6,14-15H,7-13H2,1H3
InChIKeyPBEBNQYLOCTQOU-UHFFFAOYSA-N
XLogP4.14
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dichloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3H-isoindol-1-one
CID 11419526
4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 24887290
3-(3,4-Dichloro-phenyl)-1 (4methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-1,5-dihydro-pyrrol-2-one
CID 24887518
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one
CID 24888184
N-[3-[2-[[1-(3,4-dichlorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]phenyl]acetamide
CID 132247307
3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2066150
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 1663479
1-(3-chloro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 9981505
1-(3,4-Dichlorophenyl)-1,5-dihydro-3-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-2h-pyrrol-2-one
CID 10479409
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 11225281
6-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3H-isoindol-1-one
CID 11235362
7-chloro-4,5-difluoro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3H-isoindol-1-one
CID 11236301

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one (CID 24887519) is 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one is COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCOCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is PBEBNQYLOCTQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4/c1-29-21-5-3-17(15-22(21)31-13-10-26-8-11-30-12-9-26)27-7-6-18(23(27)28)16-2-4-19(24)20(25)14-16/h2-6,14-15H,7-13H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one?
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 463.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 24887519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).