2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride

C25H34Cl2N4O — CID 67164499

IUPAC2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
SMILESCN(C)C1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCC(N(C)C)C4)ccc2-3)C1.Cl.Cl
InChIInChI=1S/C25H32N4O.2ClH/c1-26(2)19-9-11-28(15-19)17-5-7-21-22-8-6-18(14-24(22)25(30)23(21)13-17)29-12-10-20(16-29)27(3)4;;/h5-8,13-14,19-20H,9-12,15-16H2,1-4H3;2*1H
InChIKeyCJQBLHXTXGQVIS-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.02
Rot. Bonds4

About 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride

2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride (PubChem CID 67164499) has the molecular formula C25H34Cl2N4O and a molecular weight of 477.48 g/mol. Its IUPAC name is 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride.

Molecular Properties

Compound Name2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
PubChem CID67164499
Molecular FormulaC25H34Cl2N4O
Molecular Weight477.48 g/mol
Exact Mass476.21
IUPAC Name2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
SMILESCN(C)C1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCC(N(C)C)C4)ccc2-3)C1.Cl.Cl
InChIInChI=1S/C25H32N4O.2ClH/c1-26(2)19-9-11-28(15-19)17-5-7-21-22-8-6-18(14-24(22)25(30)23(21)13-17)29-12-10-20(16-29)27(3)4;;/h5-8,13-14,19-20H,9-12,15-16H2,1-4H3;2*1H
InChIKeyCJQBLHXTXGQVIS-UHFFFAOYSA-N
XLogP4.02
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 63164363
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
CID 71154282
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
(3R)-1-(3-iodo-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 166150000
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1,2-benzothiazole-3-carboxylic acid
CID 66702570
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81215544

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride?
The IUPAC name of 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride (CID 67164499) is 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride.
What is the SMILES notation for 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride?
The canonical SMILES for 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride is CN(C)C1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCC(N(C)C)C4)ccc2-3)C1.Cl.Cl.
What is the InChIKey of 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride?
The InChIKey is CJQBLHXTXGQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.2ClH/c1-26(2)19-9-11-28(15-19)17-5-7-21-22-8-6-18(14-24(22)25(30)23(21)13-17)29-12-10-20(16-29)27(3)4;;/h5-8,13-14,19-20H,9-12,15-16H2,1-4H3;2*1H.
What are the key properties of 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride?
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride has a molecular weight of 477.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride is sourced from PubChem (CID 67164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).