4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione

C20H15BrClN3O2 — CID 46933624

IUPAC4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2cccc(Br)c21
InChIInChI=1S/C20H15BrClN3O2/c21-14-3-1-4-17-18(14)19(26)20(27)25(17)10-2-8-23-15-7-9-24-16-11-12(22)5-6-13(15)16/h1,3-7,9,11H,2,8,10H2,(H,23,24)
InChIKeyFYPOAFZMPVPEHD-UHFFFAOYSA-N
MW444.72 g/mol
LogP4.68
Rot. Bonds5

About 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione

4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione (PubChem CID 46933624) has the molecular formula C20H15BrClN3O2 and a molecular weight of 444.72 g/mol. Its IUPAC name is 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione
PubChem CID46933624
Molecular FormulaC20H15BrClN3O2
Molecular Weight444.72 g/mol
Exact Mass443.00
IUPAC Name4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2cccc(Br)c21
InChIInChI=1S/C20H15BrClN3O2/c21-14-3-1-4-17-18(14)19(26)20(27)25(17)10-2-8-23-15-7-9-24-16-11-12(22)5-6-13(15)16/h1,3-7,9,11H,2,8,10H2,(H,23,24)
InChIKeyFYPOAFZMPVPEHD-UHFFFAOYSA-N
XLogP4.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.72
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]benzo[de]isoquinoline-1,3-dione
CID 155520429
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
5-chloro-1-[[3-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]indole-2,3-dione
CID 71717690
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione
CID 118709389
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
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione?
The IUPAC name of 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione (CID 46933624) is 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione.
What is the SMILES notation for 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione?
The canonical SMILES for 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione is O=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2cccc(Br)c21.
What is the InChIKey of 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione?
The InChIKey is FYPOAFZMPVPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3O2/c21-14-3-1-4-17-18(14)19(26)20(27)25(17)10-2-8-23-15-7-9-24-16-11-12(22)5-6-13(15)16/h1,3-7,9,11H,2,8,10H2,(H,23,24).
What are the key properties of 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione?
4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione has a molecular weight of 444.72 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-[(7-chloroquinolin-4-yl)amino]propyl]indole-2,3-dione is sourced from PubChem (CID 46933624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).