9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C20H20ClNO2 — CID 1088711

IUPAC9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2)C2=C1CCCC2=O
InChIInChI=1S/C20H20ClNO2/c1-22-14-4-2-6-16(23)19(14)18(12-8-10-13(21)11-9-12)20-15(22)5-3-7-17(20)24/h8-11,18H,2-7H2,1H3
InChIKeyYWOAETHWJZMDSH-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.38
Rot. Bonds1

About 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 1088711) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID1088711
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2)C2=C1CCCC2=O
InChIInChI=1S/C20H20ClNO2/c1-22-14-4-2-6-16(23)19(14)18(12-8-10-13(21)11-9-12)20-15(22)5-3-7-17(20)24/h8-11,18H,2-7H2,1H3
InChIKeyYWOAETHWJZMDSH-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
9-(3,5-dichloro-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1078580
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
[2-iodo-6-methoxy-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenyl] 4-chlorobenzenesulfonate
CID 126078427
[2,6-dichloro-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenyl] benzenesulfonate
CID 126081900
9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 647395
9-[3,5-dibromo-4-(2-methylpropoxy)phenyl]-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126060330
(4R)-2-amino-4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126135636
(4S)-2-amino-4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126135644
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23903725
methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306273
9-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126055958

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 1088711) is 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2)C2=C1CCCC2=O.
What is the InChIKey of 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is YWOAETHWJZMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-22-14-4-2-6-16(23)19(14)18(12-8-10-13(21)11-9-12)20-15(22)5-3-7-17(20)24/h8-11,18H,2-7H2,1H3.
What are the key properties of 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 341.84 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1088711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).