2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

C34H22Cl2N2O2 — CID 138622627

IUPAC2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3ccccc3Cl)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccccc2Cl)ccc1n3C
InChIInChI=1S/C34H22Cl2N2O2/c1-37-29-13-11-19(21-7-3-5-9-27(21)35)15-23(29)33(39)25-18-32-26(17-31(25)37)34(40)24-16-20(12-14-30(24)38(32)2)22-8-4-6-10-28(22)36/h3-18H,1-2H3
InChIKeyUYCLGNDUAZDJGY-UHFFFAOYSA-N
MW561.47 g/mol
LogP8.34
Rot. Bonds2

About 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622627) has the molecular formula C34H22Cl2N2O2 and a molecular weight of 561.47 g/mol. Its IUPAC name is 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138622627
Molecular FormulaC34H22Cl2N2O2
Molecular Weight561.47 g/mol
Exact Mass560.11
IUPAC Name2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3ccccc3Cl)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccccc2Cl)ccc1n3C
InChIInChI=1S/C34H22Cl2N2O2/c1-37-29-13-11-19(21-7-3-5-9-27(21)35)15-23(29)33(39)25-18-32-26(17-31(25)37)34(40)24-16-20(12-14-30(24)38(32)2)22-8-4-6-10-28(22)36/h3-18H,1-2H3
InChIKeyUYCLGNDUAZDJGY-UHFFFAOYSA-N
XLogP8.34
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.47
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
10-methyl-2-phenylacridin-9-one
CID 18533849
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione
CID 138622453
2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
CID 138622461
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
CID 4713933
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
dichlorozirconium(2+);bis(9-methyl-3-(2-methyl-1H-inden-1-id-4-yl)carbazole)
CID 168786533
2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one
CID 72546975
1,3,8,10-tetrakis(4-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 139320969

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (CID 138622627) is 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is Cn1c2ccc(-c3ccccc3Cl)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccccc2Cl)ccc1n3C.
What is the InChIKey of 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is UYCLGNDUAZDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22Cl2N2O2/c1-37-29-13-11-19(21-7-3-5-9-27(21)35)15-23(29)33(39)25-18-32-26(17-31(25)37)34(40)24-16-20(12-14-30(24)38(32)2)22-8-4-6-10-28(22)36/h3-18H,1-2H3.
What are the key properties of 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 561.47 g/mol, XLogP of 8.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).