methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate

C32H27NO7 — CID 12997022

IUPACmethyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate
SMILESCOC(=O)CC1(O)C(=O)C(C(=O)c2ccc(OC)cc2)=C(c2ccc(OC)cc2)N1c1cccc2ccccc12
InChIInChI=1S/C32H27NO7/c1-38-23-15-11-21(12-16-23)29-28(30(35)22-13-17-24(39-2)18-14-22)31(36)32(37,19-27(34)40-3)33(29)26-10-6-8-20-7-4-5-9-25(20)26/h4-18,37H,19H2,1-3H3
InChIKeyVVLQRYPOYAOLJB-UHFFFAOYSA-N
MW537.57 g/mol
LogP4.79
Rot. Bonds8

About methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate

methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate (PubChem CID 12997022) has the molecular formula C32H27NO7 and a molecular weight of 537.57 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate
PubChem CID12997022
Molecular FormulaC32H27NO7
Molecular Weight537.57 g/mol
Exact Mass537.18
IUPAC Namemethyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate
SMILESCOC(=O)CC1(O)C(=O)C(C(=O)c2ccc(OC)cc2)=C(c2ccc(OC)cc2)N1c1cccc2ccccc12
InChIInChI=1S/C32H27NO7/c1-38-23-15-11-21(12-16-23)29-28(30(35)22-13-17-24(39-2)18-14-22)31(36)32(37,19-27(34)40-3)33(29)26-10-6-8-20-7-4-5-9-25(20)26/h4-18,37H,19H2,1-3H3
InChIKeyVVLQRYPOYAOLJB-UHFFFAOYSA-N
XLogP4.79
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6'-(4-methoxybenzoyl)-5'-(4-methoxyphenyl)-2',7'-dioxospiro[cyclobutane-1,3'-pyrrolo[2,1-b][1,3]oxazole]-7'a-yl]acetate
CID 139216799
methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate
CID 40541278
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
CID 93292659
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(10R,11S,15R,16R)-16-(4-methoxybenzoyl)-13-naphthalen-1-yl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 40902990
(10R,11R,15R,16S)-16-(4-methoxybenzoyl)-13-naphthalen-1-yl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124820725
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
(1S,2S,6R,7S)-8,9-bis(4-methoxyphenyl)-4-naphthalen-1-yl-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 99724064
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate (CID 12997022) is methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate is COC(=O)CC1(O)C(=O)C(C(=O)c2ccc(OC)cc2)=C(c2ccc(OC)cc2)N1c1cccc2ccccc12.
What is the InChIKey of methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate?
The InChIKey is VVLQRYPOYAOLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO7/c1-38-23-15-11-21(12-16-23)29-28(30(35)22-13-17-24(39-2)18-14-22)31(36)32(37,19-27(34)40-3)33(29)26-10-6-8-20-7-4-5-9-25(20)26/h4-18,37H,19H2,1-3H3.
What are the key properties of methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate?
methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate has a molecular weight of 537.57 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-naphthalen-1-yl-3-oxopyrrol-2-yl]acetate is sourced from PubChem (CID 12997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).