5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione

C40H36N2O4 — CID 58586577

IUPAC5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(Cn2c3cc4c(=O)c5c(C)ccc(C)c5n(Cc5ccc(OC)cc5)c4cc3c(=O)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C40H36N2O4/c1-23-7-9-25(3)37-35(23)39(43)31-19-34-32(20-33(31)41(37)21-27-11-15-29(45-5)16-12-27)40(44)36-24(2)8-10-26(4)38(36)42(34)22-28-13-17-30(46-6)18-14-28/h7-20H,21-22H2,1-6H3
InChIKeyGWDQQGMSRNQZKQ-UHFFFAOYSA-N
MW608.74 g/mol
LogP7.97
Rot. Bonds6

About 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione

5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 58586577) has the molecular formula C40H36N2O4 and a molecular weight of 608.74 g/mol. Its IUPAC name is 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID58586577
Molecular FormulaC40H36N2O4
Molecular Weight608.74 g/mol
Exact Mass608.27
IUPAC Name5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(Cn2c3cc4c(=O)c5c(C)ccc(C)c5n(Cc5ccc(OC)cc5)c4cc3c(=O)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C40H36N2O4/c1-23-7-9-25(3)37-35(23)39(43)31-19-34-32(20-33(31)41(37)21-27-11-15-29(45-5)16-12-27)40(44)36-24(2)8-10-26(4)38(36)42(34)22-28-13-17-30(46-6)18-14-28/h7-20H,21-22H2,1-6H3
InChIKeyGWDQQGMSRNQZKQ-UHFFFAOYSA-N
XLogP7.97
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 23154002
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
10-benzyl-3-methoxyacridin-9-one
CID 12751573
9-benzyl-6-methoxy-1,4-dimethylcarbazole-3-carbaldehyde
CID 122225837
methyl 2,4-dichloro-5-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indole-7-carboxylate
CID 171842045
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
CID 1479156
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione (CID 58586577) is 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione is COc1ccc(Cn2c3cc4c(=O)c5c(C)ccc(C)c5n(Cc5ccc(OC)cc5)c4cc3c(=O)c3c(C)ccc(C)c32)cc1.
What is the InChIKey of 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is GWDQQGMSRNQZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O4/c1-23-7-9-25(3)37-35(23)39(43)31-19-34-32(20-33(31)41(37)21-27-11-15-29(45-5)16-12-27)40(44)36-24(2)8-10-26(4)38(36)42(34)22-28-13-17-30(46-6)18-14-28/h7-20H,21-22H2,1-6H3.
What are the key properties of 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione?
5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 608.74 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 58586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).