5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione

C23H18Cl2N6O2 — CID 71717690

IUPAC5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnnn2CCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21
InChIInChI=1S/C23H18Cl2N6O2/c24-14-3-5-21-18(10-14)22(32)23(33)30(21)13-16-12-28-29-31(16)9-1-7-26-19-6-8-27-20-11-15(25)2-4-17(19)20/h2-6,8,10-12H,1,7,9,13H2,(H,26,27)
InChIKeyJVBYLCHDFZJSON-UHFFFAOYSA-N
MW481.34 g/mol
LogP4.36
Rot. Bonds7

About 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione

5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione (PubChem CID 71717690) has the molecular formula C23H18Cl2N6O2 and a molecular weight of 481.34 g/mol. Its IUPAC name is 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione
PubChem CID71717690
Molecular FormulaC23H18Cl2N6O2
Molecular Weight481.34 g/mol
Exact Mass480.09
IUPAC Name5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnnn2CCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21
InChIInChI=1S/C23H18Cl2N6O2/c24-14-3-5-21-18(10-14)22(32)23(33)30(21)13-16-12-28-29-31(16)9-1-7-26-19-6-8-27-20-11-15(25)2-4-17(19)20/h2-6,8,10-12H,1,7,9,13H2,(H,26,27)
InChIKeyJVBYLCHDFZJSON-UHFFFAOYSA-N
XLogP4.36
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione with MolForge

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Related Compounds

5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione
CID 118709389
1-[[3-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]indole-2,3-dione
CID 71653764
4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione
CID 46933624
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
6-bromo-2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]benzo[de]isoquinoline-1,3-dione
CID 155520429
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
N-butyl-7-chloroquinolin-4-amine
CID 10037042
2,4-dichloro-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 78426172
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione
CID 171357178
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione (CID 71717690) is 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cnnn2CCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione?
The InChIKey is JVBYLCHDFZJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O2/c24-14-3-5-21-18(10-14)22(32)23(33)30(21)13-16-12-28-29-31(16)9-1-7-26-19-6-8-27-20-11-15(25)2-4-17(19)20/h2-6,8,10-12H,1,7,9,13H2,(H,26,27).
What are the key properties of 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione?
5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione has a molecular weight of 481.34 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 71717690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).