2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one

C26H26N2O5 — CID 2865100

IUPAC2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=CC(c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C26H26N2O5/c1-30-20-10-6-18(7-11-20)27-22-16-23(17-5-14-24(32-3)25(15-17)33-4)28(26(22)29)19-8-12-21(31-2)13-9-19/h5-16,23,27H,1-4H3
InChIKeyWJZOKOUQLAGZTP-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.80
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one

2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2865100) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID2865100
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(NC2=CC(c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C26H26N2O5/c1-30-20-10-6-18(7-11-20)27-22-16-23(17-5-14-24(32-3)25(15-17)33-4)28(26(22)29)19-8-12-21(31-2)13-9-19/h5-16,23,27H,1-4H3
InChIKeyWJZOKOUQLAGZTP-UHFFFAOYSA-N
XLogP4.80
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145
2-(2,4-dimethoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 6618167
4-anilino-2-(2,5-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 2879675
(2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-(2,4-dimethoxyphenyl)-2H-pyrrol-5-one
CID 26517296
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
4-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 72715861
2-(1,3-benzodioxol-5-yl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 4693509
(2S)-2-(4-butoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)-2H-pyrrol-5-one
CID 7046537
(2R)-2-(4-butoxyphenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2H-pyrrol-5-one
CID 7046542

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 2865100) is 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(NC2=CC(c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WJZOKOUQLAGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-30-20-10-6-18(7-11-20)27-22-16-23(17-5-14-24(32-3)25(15-17)33-4)28(26(22)29)19-8-12-21(31-2)13-9-19/h5-16,23,27H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 446.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2865100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).