6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione

C27H21N3O4 — CID 143390862

IUPAC6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione
SMILESC=Cc1[nH]c2cc3c(=O)c4ccccc4n(CCCN4C(=O)C=CC4=O)c3cc2c(=O)c1C=C
InChIInChI=1S/C27H21N3O4/c1-3-16-20(4-2)28-21-14-19-23(15-18(21)26(16)33)29(22-9-6-5-8-17(22)27(19)34)12-7-13-30-24(31)10-11-25(30)32/h3-6,8-11,14-15H,1-2,7,12-13H2,(H,28,33)
InChIKeyTYOWJMUDORMDQR-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.60
Rot. Bonds6

About 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione

6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione (PubChem CID 143390862) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione.

Molecular Properties

Compound Name6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione
PubChem CID143390862
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC Name6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione
SMILESC=Cc1[nH]c2cc3c(=O)c4ccccc4n(CCCN4C(=O)C=CC4=O)c3cc2c(=O)c1C=C
InChIInChI=1S/C27H21N3O4/c1-3-16-20(4-2)28-21-14-19-23(15-18(21)26(16)33)29(22-9-6-5-8-17(22)27(19)34)12-7-13-30-24(31)10-11-25(30)32/h3-6,8-11,14-15H,1-2,7,12-13H2,(H,28,33)
InChIKeyTYOWJMUDORMDQR-UHFFFAOYSA-N
XLogP3.60
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796151
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157
5,12-bis[6-(2-aminoethylamino)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 15538503
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796199
12-benzyl-4-ethoxy-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139796186
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
5-[6-(3-hydroxypropoxy)hexyl]-12-[6-(3-methoxypropoxy)hexyl]quinolino[2,3-b]acridine-7,14-dione
CID 58732055

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione?
The IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione (CID 143390862) is 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione.
What is the SMILES notation for 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione?
The canonical SMILES for 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione is C=Cc1[nH]c2cc3c(=O)c4ccccc4n(CCCN4C(=O)C=CC4=O)c3cc2c(=O)c1C=C.
What is the InChIKey of 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione?
The InChIKey is TYOWJMUDORMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-3-16-20(4-2)28-21-14-19-23(15-18(21)26(16)33)29(22-9-6-5-8-17(22)27(19)34)12-7-13-30-24(31)10-11-25(30)32/h3-6,8-11,14-15H,1-2,7,12-13H2,(H,28,33).
What are the key properties of 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione?
6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione has a molecular weight of 451.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,3-bis(ethenyl)-1H-pyrido[2,3-b]acridine-4,11-dione is sourced from PubChem (CID 143390862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).