7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine

C14H12ClN3S — CID 63613248

IUPAC7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
SMILESCC(Nc1ccnc2cc(Cl)ccc12)c1nccs1
InChIInChI=1S/C14H12ClN3S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,1H3,(H,16,18)
InChIKeyDBUUVNLIMRJBKX-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.52
Rot. Bonds3

About 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine

7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine (PubChem CID 63613248) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
PubChem CID63613248
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
SMILESCC(Nc1ccnc2cc(Cl)ccc12)c1nccs1
InChIInChI=1S/C14H12ClN3S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,1H3,(H,16,18)
InChIKeyDBUUVNLIMRJBKX-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
CID 103001288
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine (CID 63613248) is 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine is CC(Nc1ccnc2cc(Cl)ccc12)c1nccs1.
What is the InChIKey of 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The InChIKey is DBUUVNLIMRJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,1H3,(H,16,18).
What are the key properties of 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 63613248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).