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

C26H24BrNO3 — CID 42645872

IUPAC10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H24BrNO3/c1-31-19-14-8-16(9-15-19)24-25-20(4-2-6-22(25)29)28(18-12-10-17(27)11-13-18)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3
InChIKeyBBMGKHMVBYLWEL-UHFFFAOYSA-N
MW478.39 g/mol
LogP6.08
Rot. Bonds3

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

10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 42645872) has the molecular formula C26H24BrNO3 and a molecular weight of 478.39 g/mol. Its IUPAC name is 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID42645872
Molecular FormulaC26H24BrNO3
Molecular Weight478.39 g/mol
Exact Mass477.09
IUPAC Name10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H24BrNO3/c1-31-19-14-8-16(9-15-19)24-25-20(4-2-6-22(25)29)28(18-12-10-17(27)11-13-18)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3
InChIKeyBBMGKHMVBYLWEL-UHFFFAOYSA-N
XLogP6.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2845059
10-(4-bromophenyl)-9-(3-methoxy-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 19616807
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23903725
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4006061
ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
CID 1241106
2-amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3955246
ethyl (4R)-2-amino-1-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
CID 1042052
2-amino-1-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4086458
methyl 2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3748174
(4S)-1-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-2-imino-4-(4-methoxyphenyl)-4,6,7,8-tetrahydroquinolin-5-one
CID 136868591
(4S)-2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1035437
phenacyl 2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetate
CID 4313702

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 42645872) is 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is COc1ccc(C2C3=C(CCCC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is BBMGKHMVBYLWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrNO3/c1-31-19-14-8-16(9-15-19)24-25-20(4-2-6-22(25)29)28(18-12-10-17(27)11-13-18)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3.
What are the key properties of 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 478.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 42645872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).