2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione

C28H20N2O5 — CID 54697123

IUPAC2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione
SMILESCC(=CC(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H20N2O5/c1-15(13-23(31)24-27(34)20-9-5-6-10-22(20)30(2)28(24)35)29-16-11-12-19-21(14-16)26(33)18-8-4-3-7-17(18)25(19)32/h3-14,29,34H,1-2H3
InChIKeyUPVQYTGDLZNKNF-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.22
Rot. Bonds4

About 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione

2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione (PubChem CID 54697123) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione
PubChem CID54697123
Molecular FormulaC28H20N2O5
Molecular Weight464.48 g/mol
Exact Mass464.14
IUPAC Name2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione
SMILESCC(=CC(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H20N2O5/c1-15(13-23(31)24-27(34)20-9-5-6-10-22(20)30(2)28(24)35)29-16-11-12-19-21(14-16)26(33)18-8-4-3-7-17(18)25(19)32/h3-14,29,34H,1-2H3
InChIKeyUPVQYTGDLZNKNF-UHFFFAOYSA-N
XLogP4.22
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-1-methyl-3-[3-(3-methylanilino)but-2-enoyl]quinolin-2-one
CID 54683787
2-hydroxy-4-[[(E)-4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 54722153
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 54704809
3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]but-2-enoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54710535
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 67345550
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-ylmethylideneamino)quinoline-3-carboxamide
CID 54694379
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54677792

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione?
The IUPAC name of 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione (CID 54697123) is 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione.
What is the SMILES notation for 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione?
The canonical SMILES for 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione is CC(=CC(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione?
The InChIKey is UPVQYTGDLZNKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5/c1-15(13-23(31)24-27(34)20-9-5-6-10-22(20)30(2)28(24)35)29-16-11-12-19-21(14-16)26(33)18-8-4-3-7-17(18)25(19)32/h3-14,29,34H,1-2H3.
What are the key properties of 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione?
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione has a molecular weight of 464.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione is sourced from PubChem (CID 54697123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).