3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione

C21H18N2O2 — CID 89302916

IUPAC3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
SMILESC=CCCc1c(C)[nH]c2cc3c(=O)c4ccccc4[nH]c3cc2c1=O
InChIInChI=1S/C21H18N2O2/c1-3-4-7-13-12(2)22-18-10-16-19(11-15(18)20(13)24)23-17-9-6-5-8-14(17)21(16)25/h3,5-6,8-11H,1,4,7H2,2H3,(H,22,24)(H,23,25)
InChIKeyYKBDYDFHYRDLRC-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.95
Rot. Bonds3

About 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione

3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione (PubChem CID 89302916) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione.

Molecular Properties

Compound Name3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
PubChem CID89302916
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
SMILESC=CCCc1c(C)[nH]c2cc3c(=O)c4ccccc4[nH]c3cc2c1=O
InChIInChI=1S/C21H18N2O2/c1-3-4-7-13-12(2)22-18-10-16-19(11-15(18)20(13)24)23-17-9-6-5-8-14(17)21(16)25/h3,5-6,8-11H,1,4,7H2,2H3,(H,22,24)(H,23,25)
InChIKeyYKBDYDFHYRDLRC-UHFFFAOYSA-N
XLogP3.95
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 140517849
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione?
The IUPAC name of 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione (CID 89302916) is 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione.
What is the SMILES notation for 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione?
The canonical SMILES for 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione is C=CCCc1c(C)[nH]c2cc3c(=O)c4ccccc4[nH]c3cc2c1=O.
What is the InChIKey of 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione?
The InChIKey is YKBDYDFHYRDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-3-4-7-13-12(2)22-18-10-16-19(11-15(18)20(13)24)23-17-9-6-5-8-14(17)21(16)25/h3,5-6,8-11H,1,4,7H2,2H3,(H,22,24)(H,23,25).
What are the key properties of 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione?
3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione has a molecular weight of 330.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione is sourced from PubChem (CID 89302916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).