9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C22H23Cl2NO3 — CID 126052762

IUPAC9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O
InChIInChI=1S/C22H23Cl2NO3/c1-2-9-25-15-5-3-7-17(26)20(15)19(21-16(25)6-4-8-18(21)27)13-10-12(23)11-14(24)22(13)28/h10-11,19,28H,2-9H2,1H3
InChIKeyJZGHRWIJMFYIHE-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.52
Rot. Bonds3

About 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 126052762) has the molecular formula C22H23Cl2NO3 and a molecular weight of 420.34 g/mol. Its IUPAC name is 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID126052762
Molecular FormulaC22H23Cl2NO3
Molecular Weight420.34 g/mol
Exact Mass419.11
IUPAC Name9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O
InChIInChI=1S/C22H23Cl2NO3/c1-2-9-25-15-5-3-7-17(26)20(15)19(21-16(25)6-4-8-18(21)27)13-10-12(23)11-14(24)22(13)28/h10-11,19,28H,2-9H2,1H3
InChIKeyJZGHRWIJMFYIHE-UHFFFAOYSA-N
XLogP5.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione with MolForge

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Related Compounds

9-(3,5-dichloro-2-hydroxyphenyl)-10-(3-methoxypropyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126055720
2-[9-(3,5-dichloro-2-ethoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 126047851
9-(3,5-dichloro-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1078580
3-[9-(5-chloro-2-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126070982
3-[9-[3,5-dichloro-2-[(4-fluorophenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126075467
9-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126051363
9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 647395
3-[9-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126072298
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126050295
3-[9-(3,5-dichloro-4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126081411
9-(3,5-dichloro-2-ethoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126060362
[4-chloro-2-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenyl] benzenesulfonate
CID 126074292

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 126052762) is 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O.
What is the InChIKey of 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is JZGHRWIJMFYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO3/c1-2-9-25-15-5-3-7-17(26)20(15)19(21-16(25)6-4-8-18(21)27)13-10-12(23)11-14(24)22(13)28/h10-11,19,28H,2-9H2,1H3.
What are the key properties of 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 420.34 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126052762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).