4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one

C20H21ClN2O2 — CID 46906417

IUPAC4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCCC2)c2c(Cl)cccc12
InChIInChI=1S/C20H21ClN2O2/c21-17-8-5-7-16-19(17)23(13-14(24)12-22-10-3-4-11-22)18-9-2-1-6-15(18)20(16)25/h1-2,5-9,14,24H,3-4,10-13H2
InChIKeyGHNPMVPHBRNRBS-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one

4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one (PubChem CID 46906417) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one.

Molecular Properties

Compound Name4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
PubChem CID46906417
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCCC2)c2c(Cl)cccc12
InChIInChI=1S/C20H21ClN2O2/c21-17-8-5-7-16-19(17)23(13-14(24)12-22-10-3-4-11-22)18-9-2-1-6-15(18)20(16)25/h1-2,5-9,14,24H,3-4,10-13H2
InChIKeyGHNPMVPHBRNRBS-UHFFFAOYSA-N
XLogP3.26
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
(2S)-1-(azepan-1-yl)-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 42589641
10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
CID 44590277
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 30726611
1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2-methylindole-3-carbaldehyde
CID 6502483
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3154656
1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 45283705
1-[(2S)-3-(7-chloro-2,3-dimethylindol-1-yl)-2-hydroxypropyl]piperidin-4-ol
CID 42589645
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
CID 112826175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The IUPAC name of 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one (CID 46906417) is 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one.
What is the SMILES notation for 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The canonical SMILES for 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one is O=c1c2ccccc2n(CC(O)CN2CCCC2)c2c(Cl)cccc12.
What is the InChIKey of 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The InChIKey is GHNPMVPHBRNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-8-5-7-16-19(17)23(13-14(24)12-22-10-3-4-11-22)18-9-2-1-6-15(18)20(16)25/h1-2,5-9,14,24H,3-4,10-13H2.
What are the key properties of 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one has a molecular weight of 356.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one is sourced from PubChem (CID 46906417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).