4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C40H21Cl3N4O4 — CID 162179481

IUPAC4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc3[nH]c4c(Cl)cccc4c(=O)c3cc2[nH]c2c(Cl)cccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2O2.C20H11ClN2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22;21-14-6-3-5-11-18(14)23-17-9-12-16(8-13(17)20(11)25)22-15-7-2-1-4-10(15)19(12)24/h1-8H,(H,23,25)(H,24,26);1-9H,(H,22,24)(H,23,25)
InChIKeyZOVFKTBAYHWZMA-UHFFFAOYSA-N
MW727.99 g/mol
LogP9.31
Rot. Bonds

About 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 162179481) has the molecular formula C40H21Cl3N4O4 and a molecular weight of 727.99 g/mol. Its IUPAC name is 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID162179481
Molecular FormulaC40H21Cl3N4O4
Molecular Weight727.99 g/mol
Exact Mass726.06
IUPAC Name4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc3[nH]c4c(Cl)cccc4c(=O)c3cc2[nH]c2c(Cl)cccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2O2.C20H11ClN2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22;21-14-6-3-5-11-18(14)23-17-9-12-16(8-13(17)20(11)25)22-15-7-2-1-4-10(15)19(12)24/h1-8H,(H,23,25)(H,24,26);1-9H,(H,22,24)(H,23,25)
InChIKeyZOVFKTBAYHWZMA-UHFFFAOYSA-N
XLogP9.31
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.99
LogP ≤ 59.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58880554
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3,4-dichloro-10H-acridin-9-one
CID 138629142
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;ethane
CID 91525380
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
2,3,9,10-tetrachloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607360
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
9-oxo-10H-acridine-2-sulfonyl chloride
CID 59000158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 162179481) is 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is O=c1c2cc3[nH]c4c(Cl)cccc4c(=O)c3cc2[nH]c2c(Cl)cccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4cccc(Cl)c4[nH]c3cc12.
What is the InChIKey of 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is ZOVFKTBAYHWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O2.C20H11ClN2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22;21-14-6-3-5-11-18(14)23-17-9-12-16(8-13(17)20(11)25)22-15-7-2-1-4-10(15)19(12)24/h1-8H,(H,23,25)(H,24,26);1-9H,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 727.99 g/mol, XLogP of 9.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 162179481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).