2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione

C22H15ClN4O2 — CID 91567483

IUPAC2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione
SMILESCc1ncc(-c2nc3c(Cl)cccc3cc2CN2C(=O)c3ccccc3C2=O)[nH]1
InChIInChI=1S/C22H15ClN4O2/c1-12-24-10-18(25-12)20-14(9-13-5-4-8-17(23)19(13)26-20)11-27-21(28)15-6-2-3-7-16(15)22(27)29/h2-10H,11H2,1H3,(H,24,25)
InChIKeyJQIDVSGUDINDJS-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.38
Rot. Bonds3

About 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione

2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione (PubChem CID 91567483) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione
PubChem CID91567483
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC Name2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione
SMILESCc1ncc(-c2nc3c(Cl)cccc3cc2CN2C(=O)c3ccccc3C2=O)[nH]1
InChIInChI=1S/C22H15ClN4O2/c1-12-24-10-18(25-12)20-14(9-13-5-4-8-17(23)19(13)26-20)11-27-21(28)15-6-2-3-7-16(15)22(27)29/h2-10H,11H2,1H3,(H,24,25)
InChIKeyJQIDVSGUDINDJS-UHFFFAOYSA-N
XLogP4.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-[2-(1H-Imidazol-4-yl)ethyl]-2-{[methyl(5,6,7,8-tetrahydro-8-quinolinyl)amino]methyl}-1H-benzimidazole-4-carboxamide
CID 11683397
Ac-Nle-Asp(1)-His-D-2Nal-Arg-Trp(7-Cl)-Lys(1)-NH2
CID 162673650
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 10178250
3-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)-1H-indole-6-carboxamide
CID 11168063
3-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 11477894
[1-(4-Chloro-benzyl)-1h-indol-3-yl]-(4-pyridin-2-yl-1h-imidazol-2-yl)-methanone
CID 12146870
1h-Indole-2-carboxamide,5-chloro-n-[3-(1h-imidazol-1-yl)butyl]-
CID 13752983
1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
CID 22022397
[1-(4-Chlorobenzyl)-1H-indol-3-yl]-[4-(pyridine-3-carbonyl)-1H-imidazol-2-yl]methanone
CID 22022399
4-chloro-N-(3-propan-2-ylphenyl)-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73331186
(E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 118025416
2-[(3-chloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118726365

Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione (CID 91567483) is 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione is Cc1ncc(-c2nc3c(Cl)cccc3cc2CN2C(=O)c3ccccc3C2=O)[nH]1.
What is the InChIKey of 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is JQIDVSGUDINDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c1-12-24-10-18(25-12)20-14(9-13-5-4-8-17(23)19(13)26-20)11-27-21(28)15-6-2-3-7-16(15)22(27)29/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione?
2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 402.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-2-(2-methyl-1H-imidazol-5-yl)quinolin-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 91567483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).