4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione

C27H8Cl8N2O4 — CID 146694512

IUPAC4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c2nc(C3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)ccc2c1
InChIInChI=1S/C27H8Cl8N2O4/c1-6-4-7-2-3-8(10-24(38)11-12(25(10)39)16(29)20(33)19(32)15(11)28)36-23(7)9(5-6)37-26(40)13-14(27(37)41)18(31)22(35)21(34)17(13)30/h2-5,10H,1H3
InChIKeyQMVIXYFFWCPQGN-UHFFFAOYSA-N
MW707.99 g/mol
LogP9.73
Rot. Bonds2

About 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione

4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione (PubChem CID 146694512) has the molecular formula C27H8Cl8N2O4 and a molecular weight of 707.99 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
PubChem CID146694512
Molecular FormulaC27H8Cl8N2O4
Molecular Weight707.99 g/mol
Exact Mass703.80
IUPAC Name4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c2nc(C3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)ccc2c1
InChIInChI=1S/C27H8Cl8N2O4/c1-6-4-7-2-3-8(10-24(38)11-12(25(10)39)16(29)20(33)19(32)15(11)28)36-23(7)9(5-6)37-26(40)13-14(27(37)41)18(31)22(35)21(34)17(13)30/h2-5,10H,1H3
InChIKeyQMVIXYFFWCPQGN-UHFFFAOYSA-N
XLogP9.73
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.99
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione (CID 146694512) is 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c2nc(C3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)ccc2c1.
What is the InChIKey of 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione?
The InChIKey is QMVIXYFFWCPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H8Cl8N2O4/c1-6-4-7-2-3-8(10-24(38)11-12(25(10)39)16(29)20(33)19(32)15(11)28)36-23(7)9(5-6)37-26(40)13-14(27(37)41)18(31)22(35)21(34)17(13)30/h2-5,10H,1H3.
What are the key properties of 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione?
4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione has a molecular weight of 707.99 g/mol, XLogP of 9.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-2-[6-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione is sourced from PubChem (CID 146694512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).