3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C34H24N2O6 — CID 139788379

IUPAC3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(Oc2ccc3c(=O)c4cc5[nH]c6cc(Oc7ccc(OC)cc7)ccc6c(=O)c5cc4[nH]c3c2)cc1
InChIInChI=1S/C34H24N2O6/c1-39-19-3-7-21(8-4-19)41-23-11-13-25-29(15-23)35-31-17-28-32(18-27(31)33(25)37)36-30-16-24(12-14-26(30)34(28)38)42-22-9-5-20(40-2)6-10-22/h3-18H,1-2H3,(H,35,37)(H,36,38)
InChIKeyDHQDFKZOJDBOLO-UHFFFAOYSA-N
MW556.57 g/mol
LogP7.28
Rot. Bonds6

About 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 139788379) has the molecular formula C34H24N2O6 and a molecular weight of 556.57 g/mol. Its IUPAC name is 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID139788379
Molecular FormulaC34H24N2O6
Molecular Weight556.57 g/mol
Exact Mass556.16
IUPAC Name3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(Oc2ccc3c(=O)c4cc5[nH]c6cc(Oc7ccc(OC)cc7)ccc6c(=O)c5cc4[nH]c3c2)cc1
InChIInChI=1S/C34H24N2O6/c1-39-19-3-7-21(8-4-19)41-23-11-13-25-29(15-23)35-31-17-28-32(18-27(31)33(25)37)36-30-16-24(12-14-26(30)34(28)38)42-22-9-5-20(40-2)6-10-22/h3-18H,1-2H3,(H,35,37)(H,36,38)
InChIKeyDHQDFKZOJDBOLO-UHFFFAOYSA-N
XLogP7.28
TPSA102.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.57
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
2-phenoxy-10H-acridin-9-one
CID 14029103
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788390
3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781786
8-methoxy-1,2,3,5-tetrahydrocyclopenta[b]acridin-10-one
CID 15309879
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
CID 53362916
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
3-methoxy-5H-phenanthridin-6-one
CID 12706603

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 139788379) is 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is COc1ccc(Oc2ccc3c(=O)c4cc5[nH]c6cc(Oc7ccc(OC)cc7)ccc6c(=O)c5cc4[nH]c3c2)cc1.
What is the InChIKey of 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is DHQDFKZOJDBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O6/c1-39-19-3-7-21(8-4-19)41-23-11-13-25-29(15-23)35-31-17-28-32(18-27(31)33(25)37)36-30-16-24(12-14-26(30)34(28)38)42-22-9-5-20(40-2)6-10-22/h3-18H,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 556.57 g/mol, XLogP of 7.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139788379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).