2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one

C24H27F2N3O — CID 56956863

IUPAC2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
SMILESCn1c2cc(N3CCCCC3)c(F)cc2c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C24H27F2N3O/c1-27-20-14-22(28-8-4-2-5-9-28)18(25)12-16(20)24(30)17-13-19(26)23(15-21(17)27)29-10-6-3-7-11-29/h12-15H,2-11H2,1H3
InChIKeyYTHGQKBLTWDZOW-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.95
Rot. Bonds2

About 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one

2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one (PubChem CID 56956863) has the molecular formula C24H27F2N3O and a molecular weight of 411.50 g/mol. Its IUPAC name is 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one.

Molecular Properties

Compound Name2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
PubChem CID56956863
Molecular FormulaC24H27F2N3O
Molecular Weight411.50 g/mol
Exact Mass411.21
IUPAC Name2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
SMILESCn1c2cc(N3CCCCC3)c(F)cc2c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C24H27F2N3O/c1-27-20-14-22(28-8-4-2-5-9-28)18(25)12-16(20)24(30)17-13-19(26)23(15-21(17)27)29-10-6-3-7-11-29/h12-15H,2-11H2,1H3
InChIKeyYTHGQKBLTWDZOW-UHFFFAOYSA-N
XLogP4.95
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
CID 56956701
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
6-fluoro-1-(methylamino)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 13387914
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 97032687
6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 5270922
7-(azepan-1-yl)-6-fluoro-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18560071
6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 45259291
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905140
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-(carboxymethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 139222533
7-(azepan-1-yl)-1-[(4-tert-butylphenyl)methyl]-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 71157953

Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one?
The IUPAC name of 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one (CID 56956863) is 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one.
What is the SMILES notation for 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one?
The canonical SMILES for 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one is Cn1c2cc(N3CCCCC3)c(F)cc2c(=O)c2cc(F)c(N3CCCCC3)cc21.
What is the InChIKey of 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one?
The InChIKey is YTHGQKBLTWDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O/c1-27-20-14-22(28-8-4-2-5-9-28)18(25)12-16(20)24(30)17-13-19(26)23(15-21(17)27)29-10-6-3-7-11-29/h12-15H,2-11H2,1H3.
What are the key properties of 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one?
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one has a molecular weight of 411.50 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one is sourced from PubChem (CID 56956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).