2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione

C29H22N2O5 — CID 139791356

IUPAC2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
SMILESCOc1cc(OC)c2[nH]c3cc4c(=O)c5cc(OC)ccc5n(-c5ccccc5)c4cc3c(=O)c2c1
InChIInChI=1S/C29H22N2O5/c1-34-17-9-10-24-20(11-17)29(33)21-14-23-19(15-25(21)31(24)16-7-5-4-6-8-16)28(32)22-12-18(35-2)13-26(36-3)27(22)30-23/h4-15H,1-3H3,(H,30,32)
InChIKeyGZGATMFXJFWDKL-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.16
Rot. Bonds4

About 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione

2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139791356) has the molecular formula C29H22N2O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139791356
Molecular FormulaC29H22N2O5
Molecular Weight478.50 g/mol
Exact Mass478.15
IUPAC Name2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
SMILESCOc1cc(OC)c2[nH]c3cc4c(=O)c5cc(OC)ccc5n(-c5ccccc5)c4cc3c(=O)c2c1
InChIInChI=1S/C29H22N2O5/c1-34-17-9-10-24-20(11-17)29(33)21-14-23-19(15-25(21)31(24)16-7-5-4-6-8-16)28(32)22-12-18(35-2)13-26(36-3)27(22)30-23/h4-15H,1-3H3,(H,30,32)
InChIKeyGZGATMFXJFWDKL-UHFFFAOYSA-N
XLogP5.16
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796238
13,30,47-triphenyl-3,13,20,30,37,47-hexazatridecacyclo[34.15.0.02,18.04,16.06,14.07,12.019,35.021,33.023,31.024,29.038,50.040,48.041,46]henpentaconta-1,4(16),5,7,9,11,14,18,21(33),22,24,26,28,31,35,38(50),39,41,43,45,48-henicosaene-17,34,51-trione
CID 142384549
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140955524
2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788390
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 58669175
9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800

Frequently Asked Questions

What is the IUPAC name of 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione (CID 139791356) is 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione is COc1cc(OC)c2[nH]c3cc4c(=O)c5cc(OC)ccc5n(-c5ccccc5)c4cc3c(=O)c2c1.
What is the InChIKey of 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is GZGATMFXJFWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O5/c1-34-17-9-10-24-20(11-17)29(33)21-14-23-19(15-25(21)31(24)16-7-5-4-6-8-16)28(32)22-12-18(35-2)13-26(36-3)27(22)30-23/h4-15H,1-3H3,(H,30,32).
What are the key properties of 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione?
2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 478.50 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139791356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).