5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine

C15H13ClN2S — CID 54862962

IUPAC5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
SMILESCc1ccc(CNc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C15H13ClN2S/c1-10-4-5-11(19-10)9-18-14-7-6-13(16)12-3-2-8-17-15(12)14/h2-8,18H,9H2,1H3
InChIKeyVWWNXBHSPUYKLE-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.87
Rot. Bonds3

About 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine

5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine (PubChem CID 54862962) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
PubChem CID54862962
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
SMILESCc1ccc(CNc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C15H13ClN2S/c1-10-4-5-11(19-10)9-18-14-7-6-13(16)12-3-2-8-17-15(12)14/h2-8,18H,9H2,1H3
InChIKeyVWWNXBHSPUYKLE-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
CID 115380155
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine (CID 54862962) is 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine is Cc1ccc(CNc2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine?
The InChIKey is VWWNXBHSPUYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10-4-5-11(19-10)9-18-14-7-6-13(16)12-3-2-8-17-15(12)14/h2-8,18H,9H2,1H3.
What are the key properties of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine?
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine has a molecular weight of 288.80 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 54862962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).