4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

C36H28N2O4 — CID 138654549

IUPAC4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccccc1-c1cccc2c(=O)c3cc4c(cc3n(C)c12)c(=O)c1cccc(-c2ccccc2OC)c1n4C
InChIInChI=1S/C36H28N2O4/c1-37-29-19-28-30(38(2)34-24(14-10-16-26(34)36(28)40)22-12-6-8-18-32(22)42-4)20-27(29)35(39)25-15-9-13-23(33(25)37)21-11-5-7-17-31(21)41-3/h5-20H,1-4H3
InChIKeySLYXKVXVAGFAHN-UHFFFAOYSA-N
MW552.63 g/mol
LogP7.05
Rot. Bonds4

About 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138654549) has the molecular formula C36H28N2O4 and a molecular weight of 552.63 g/mol. Its IUPAC name is 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138654549
Molecular FormulaC36H28N2O4
Molecular Weight552.63 g/mol
Exact Mass552.20
IUPAC Name4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccccc1-c1cccc2c(=O)c3cc4c(cc3n(C)c12)c(=O)c1cccc(-c2ccccc2OC)c1n4C
InChIInChI=1S/C36H28N2O4/c1-37-29-19-28-30(38(2)34-24(14-10-16-26(34)36(28)40)22-12-6-8-18-32(22)42-4)20-27(29)35(39)25-15-9-13-23(33(25)37)21-11-5-7-17-31(21)41-3/h5-20H,1-4H3
InChIKeySLYXKVXVAGFAHN-UHFFFAOYSA-N
XLogP7.05
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
CID 145450912
5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one
CID 11523258
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one
CID 10039958
5-[4-(8,14-dioxo-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-methoxy-2-methylphenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 165018318
5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
CID 67595885
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598

Frequently Asked Questions

What is the IUPAC name of 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (CID 138654549) is 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is COc1ccccc1-c1cccc2c(=O)c3cc4c(cc3n(C)c12)c(=O)c1cccc(-c2ccccc2OC)c1n4C.
What is the InChIKey of 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is SLYXKVXVAGFAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O4/c1-37-29-19-28-30(38(2)34-24(14-10-16-26(34)36(28)40)22-12-6-8-18-32(22)42-4)20-27(29)35(39)25-15-9-13-23(33(25)37)21-11-5-7-17-31(21)41-3/h5-20H,1-4H3.
What are the key properties of 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 552.63 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138654549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).