2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one

C21H23BrN2OS — CID 11846737

IUPAC2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCSCC2)c2ccc(Br)cc12
InChIInChI=1S/C21H23BrN2OS/c22-16-7-8-20-18(15-16)21(25)17-5-1-2-6-19(17)24(20)10-4-3-9-23-11-13-26-14-12-23/h1-2,5-8,15H,3-4,9-14H2
InChIKeyVMTAULLZIXFEAS-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.75
Rot. Bonds5

About 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one

2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one (PubChem CID 11846737) has the molecular formula C21H23BrN2OS and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
PubChem CID11846737
Molecular FormulaC21H23BrN2OS
Molecular Weight431.40 g/mol
Exact Mass430.07
IUPAC Name2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCSCC2)c2ccc(Br)cc12
InChIInChI=1S/C21H23BrN2OS/c22-16-7-8-20-18(15-16)21(25)17-5-1-2-6-19(17)24(20)10-4-3-9-23-11-13-26-14-12-23/h1-2,5-8,15H,3-4,9-14H2
InChIKeyVMTAULLZIXFEAS-UHFFFAOYSA-N
XLogP4.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
CID 44596826
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
2,7-dibromo-10-butylacridin-9-one
CID 86036844
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
4-[(3-bromocarbazol-9-yl)methyl]morpholine
CID 23934226
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 15994058
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one?
The IUPAC name of 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one (CID 11846737) is 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one.
What is the SMILES notation for 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one?
The canonical SMILES for 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one is O=c1c2ccccc2n(CCCCN2CCSCC2)c2ccc(Br)cc12.
What is the InChIKey of 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one?
The InChIKey is VMTAULLZIXFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2OS/c22-16-7-8-20-18(15-16)21(25)17-5-1-2-6-19(17)24(20)10-4-3-9-23-11-13-26-14-12-23/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one?
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one has a molecular weight of 431.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one is sourced from PubChem (CID 11846737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).