5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine

C14H12ClN3S — CID 54862876

IUPAC5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
SMILESCc1nc(CNc2ccc(Cl)c3cccnc23)cs1
InChIInChI=1S/C14H12ClN3S/c1-9-18-10(8-19-9)7-17-13-5-4-12(15)11-3-2-6-16-14(11)13/h2-6,8,17H,7H2,1H3
InChIKeyNYXIVPBFYJHFMG-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds3

About 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine

5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine (PubChem CID 54862876) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
PubChem CID54862876
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
SMILESCc1nc(CNc2ccc(Cl)c3cccnc23)cs1
InChIInChI=1S/C14H12ClN3S/c1-9-18-10(8-19-9)7-17-13-5-4-12(15)11-3-2-6-16-14(11)13/h2-6,8,17H,7H2,1H3
InChIKeyNYXIVPBFYJHFMG-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
CID 115380155
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43091215
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine (CID 54862876) is 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine is Cc1nc(CNc2ccc(Cl)c3cccnc23)cs1.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is NYXIVPBFYJHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-18-10(8-19-9)7-17-13-5-4-12(15)11-3-2-6-16-14(11)13/h2-6,8,17H,7H2,1H3.
What are the key properties of 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine?
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine has a molecular weight of 289.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 54862876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).