1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione

C24H26N2O2 — CID 11760543

IUPAC1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(N3CCCC3)ccc(N3CCCC3)c1C2=O
InChIInChI=1S/C24H26N2O2/c1-15-7-8-16(2)20-19(15)23(27)21-17(25-11-3-4-12-25)9-10-18(22(21)24(20)28)26-13-5-6-14-26/h7-10H,3-6,11-14H2,1-2H3
InChIKeyOELZUNCERFEHPL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.28
Rot. Bonds2

About 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione

1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione (PubChem CID 11760543) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
PubChem CID11760543
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(N3CCCC3)ccc(N3CCCC3)c1C2=O
InChIInChI=1S/C24H26N2O2/c1-15-7-8-16(2)20-19(15)23(27)21-17(25-11-3-4-12-25)9-10-18(22(21)24(20)28)26-13-5-6-14-26/h7-10H,3-6,11-14H2,1-2H3
InChIKeyOELZUNCERFEHPL-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-5,8-bis(4-methylpiperazin-1-yl)anthracene-9,10-dione
CID 11133817
1-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 168515209
1,8-di(piperidin-1-yl)anthracene-9,10-dione
CID 11314827
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
2-methyl-1-pyrrolidin-1-ylanthracene-9,10-dione
CID 168515641
3-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 3144104
(3-amino-4-pyrrolidin-1-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 39403757
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
1-nitro-4-piperidin-1-ylanthracene-9,10-dione
CID 2846999
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
CID 168515392

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione?
The IUPAC name of 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione (CID 11760543) is 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione.
What is the SMILES notation for 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione?
The canonical SMILES for 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione is Cc1ccc(C)c2c1C(=O)c1c(N3CCCC3)ccc(N3CCCC3)c1C2=O.
What is the InChIKey of 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione?
The InChIKey is OELZUNCERFEHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15-7-8-16(2)20-19(15)23(27)21-17(25-11-3-4-12-25)9-10-18(22(21)24(20)28)26-13-5-6-14-26/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione?
1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione has a molecular weight of 374.48 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione is sourced from PubChem (CID 11760543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).