2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

C24H14Cl2FN3O2 — CID 76599371

IUPAC2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H14Cl2FN3O2/c1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26/h2-12H,1H3
InChIKeyWWUXQTPCVHSAKY-UHFFFAOYSA-N
MW466.30 g/mol
LogP6.10
Rot. Bonds3

About 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 76599371) has the molecular formula C24H14Cl2FN3O2 and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID76599371
Molecular FormulaC24H14Cl2FN3O2
Molecular Weight466.30 g/mol
Exact Mass465.04
IUPAC Name2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H14Cl2FN3O2/c1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26/h2-12H,1H3
InChIKeyWWUXQTPCVHSAKY-UHFFFAOYSA-N
XLogP6.10
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.30
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

8-chloro-N-(4-fluorophenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 1257052
N-(2-Chloro-8-methyl-quinolin-3-ylmethyl)-2-fluoro-N-pyridin-3-ylmethyl-benzamide
CID 1459762
N-(2-Chloro-5,7-dimethyl-quinolin-3-ylmethyl)-4-fluoro-N-pyridin-3-ylmethyl-benzamide
CID 3216907
2-[8-[(7-Chloroquinolin-4-yl)amino]octyl]-4-fluoroisoindole-1,3-dione
CID 145951804
2-[8-[(7-Chloroquinolin-4-yl)amino]octyl]-5-fluoroisoindole-1,3-dione
CID 145953769
2-[4-[(7-Chloroquinolin-4-yl)amino]butyl]-5-fluoroisoindole-1,3-dione
CID 145954411
2-[6-[(7-Chloroquinolin-4-yl)amino]hexyl]-4-fluoroisoindole-1,3-dione
CID 145956481
2-[6-[(7-Chloroquinolin-4-yl)amino]hexyl]-5-fluoroisoindole-1,3-dione
CID 145971510
2-[4-[(7-Chloroquinolin-4-yl)amino]butyl]-4-fluoroisoindole-1,3-dione
CID 145971924
(2R*,4S*)-2-benzyl-1-(3,5-dichlorobenzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
CID 44288934
(2R*,4S*)-2-benzyl-1-(3,5-dichlorobenzoyl)-N-(4-quinolylmethyl)-N-methyl-4-piperidinamine
CID 44288936
[7-Chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 118717859

Frequently Asked Questions

What is the IUPAC name of 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (CID 76599371) is 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is CC(c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is WWUXQTPCVHSAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2FN3O2/c1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26/h2-12H,1H3.
What are the key properties of 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 466.30 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 76599371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).