(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione

C19H17Cl2NO2 — CID 6965173

IUPAC(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)C1C(=O)CCCC1=N2
InChIInChI=1S/C19H17Cl2NO2/c20-10-7-8-11(12(21)9-10)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17-18H,1-6H2/t17-,18?/m0/s1
InChIKeyLQYSUTZQMIDXRB-ZENAZSQFSA-N
MW362.26 g/mol
LogP4.91
Rot. Bonds1

About (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione

(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione (PubChem CID 6965173) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
PubChem CID6965173
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)C1C(=O)CCCC1=N2
InChIInChI=1S/C19H17Cl2NO2/c20-10-7-8-11(12(21)9-10)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17-18H,1-6H2/t17-,18?/m0/s1
InChIKeyLQYSUTZQMIDXRB-ZENAZSQFSA-N
XLogP4.91
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione with MolForge

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Related Compounds

(9R)-9-(5-chloro-2-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 7349256
(9S)-9-(3,5-dichloro-4-prop-2-enoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 7317317
2-methoxyethyl (4R)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7087696
(9R)-9-[2-[(2-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 7381240
(9S)-9-(4-nitrophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 6919141
(9R)-9-(2-prop-2-ynoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 7272175
(9S)-9-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 6964277
(9S)-9-[3-[(4-methylphenyl)methoxy]phenyl]-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 7381157
2-(2,4-dichlorophenyl)cyclopentan-1-one
CID 130164346
9-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione
CID 78443637
4-[5-(3-chlorophenyl)furan-2-yl]-1,4,4a,6,7,8-hexahydropyrazolo[5,4-b]quinolin-5-one
CID 123971962
(4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 7066001

Frequently Asked Questions

What is the IUPAC name of (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione?
The IUPAC name of (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione (CID 6965173) is (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione.
What is the SMILES notation for (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione?
The canonical SMILES for (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione is O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)C1C(=O)CCCC1=N2.
What is the InChIKey of (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione?
The InChIKey is LQYSUTZQMIDXRB-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-10-7-8-11(12(21)9-10)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17-18H,1-6H2/t17-,18?/m0/s1.
What are the key properties of (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione?
(9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione has a molecular weight of 362.26 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(2,4-dichlorophenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione is sourced from PubChem (CID 6965173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).