(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione

C20H20N2O2 — CID 129110583

IUPAC(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
SMILESC/C=C1/NC2C=C3C(=O)C4C=CC=CC4NC3=CC2C(=O)/C1=C/C
InChIInChI=1S/C20H20N2O2/c1-3-11-15(4-2)21-17-10-14-18(9-13(17)19(11)23)22-16-8-6-5-7-12(16)20(14)24/h3-10,12-13,16-17,21-22H,1-2H3/b11-3+,15-4+
InChIKeyZWELWPILHMVLPJ-WLKBOVPDSA-N
MW320.39 g/mol
LogP2.10
Rot. Bonds

About (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione

(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione (PubChem CID 129110583) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione.

Molecular Properties

Compound Name(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
PubChem CID129110583
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
SMILESC/C=C1/NC2C=C3C(=O)C4C=CC=CC4NC3=CC2C(=O)/C1=C/C
InChIInChI=1S/C20H20N2O2/c1-3-11-15(4-2)21-17-10-14-18(9-13(17)19(11)23)22-16-8-6-5-7-12(16)20(14)24/h3-10,12-13,16-17,21-22H,1-2H3/b11-3+,15-4+
InChIKeyZWELWPILHMVLPJ-WLKBOVPDSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one
CID 155573960
1-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]ethanone
CID 89085344
(2E,3E)-3-ethylidene-2-prop-2-ynylidene-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
CID 132050526
4a,5,6a,9,10,12,12a,14a-Octahydroquinolino[2,3-b]acridine-7,14-dione
CID 132050527
3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
CID 135128698
1,4-Bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione
CID 146542545
6-(6-methyl-4-piperidin-1-yl-3,4,4a,5-tetrahydro-1H-quinazolin-2-ylidene)cyclohex-2-en-1-one
CID 163414083
11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione
CID 163972370
2-Methyl-3-[methyl-[(1-piperidin-4-ylpiperidin-4-yl)methyl]amino]cyclohexa-2,4-dien-1-one
CID 171475026

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione?
The IUPAC name of (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione (CID 129110583) is (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione.
What is the SMILES notation for (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione?
The canonical SMILES for (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione is C/C=C1/NC2C=C3C(=O)C4C=CC=CC4NC3=CC2C(=O)/C1=C/C.
What is the InChIKey of (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione?
The InChIKey is ZWELWPILHMVLPJ-WLKBOVPDSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-11-15(4-2)21-17-10-14-18(9-13(17)19(11)23)22-16-8-6-5-7-12(16)20(14)24/h3-10,12-13,16-17,21-22H,1-2H3/b11-3+,15-4+.
What are the key properties of (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione?
(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione has a molecular weight of 320.39 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione is sourced from PubChem (CID 129110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).