7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine

C19H18BrN3O2S — CID 133471893

IUPAC7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C19H18BrN3O2S/c20-15-5-6-17-18(7-8-21-19(17)12-15)22-13-14-3-1-4-16(11-14)23-9-2-10-26(23,24)25/h1,3-8,11-12H,2,9-10,13H2,(H,21,22)
InChIKeyYRFJVPSPNXOAAM-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.15
Rot. Bonds4

About 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine

7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine (PubChem CID 133471893) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
PubChem CID133471893
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C19H18BrN3O2S/c20-15-5-6-17-18(7-8-21-19(17)12-15)22-13-14-3-1-4-16(11-14)23-9-2-10-26(23,24)25/h1,3-8,11-12H,2,9-10,13H2,(H,21,22)
InChIKeyYRFJVPSPNXOAAM-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-nitropyridin-2-amine
CID 133471773
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]methyl]benzoic acid
CID 122032900
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
CID 133472021
2-chloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methyl-4-nitroaniline
CID 133471937
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133471957
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133472023
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-methyl-3-phenylbutan-2-amine
CID 126779035
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine (CID 133471893) is 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine is O=S1(=O)CCCN1c1cccc(CNc2ccnc3cc(Br)ccc23)c1.
What is the InChIKey of 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine?
The InChIKey is YRFJVPSPNXOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c20-15-5-6-17-18(7-8-21-19(17)12-15)22-13-14-3-1-4-16(11-14)23-9-2-10-26(23,24)25/h1,3-8,11-12H,2,9-10,13H2,(H,21,22).
What are the key properties of 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine?
7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine has a molecular weight of 432.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133471893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).