6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine

C15H13ClN2S — CID 154861094

IUPAC6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
SMILESCc1ccsc1CNc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2S/c1-10-5-7-19-15(10)9-18-14-4-6-17-13-3-2-11(16)8-12(13)14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJZZJRMZREDBABV-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.87
Rot. Bonds3

About 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine

6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine (PubChem CID 154861094) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
PubChem CID154861094
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
SMILESCc1ccsc1CNc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2S/c1-10-5-7-19-15(10)9-18-14-4-6-17-13-3-2-11(16)8-12(13)14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJZZJRMZREDBABV-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

6-chloro-N-methylquinolin-4-amine
CID 62192062
4-chloro-N-[(3-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43426527
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133361385
3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 961610
CID 10433026
CID 10433026
3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106539104
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001503
2,3,5-trifluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 55119114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine (CID 154861094) is 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine is Cc1ccsc1CNc1ccnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine?
The InChIKey is JZZJRMZREDBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10-5-7-19-15(10)9-18-14-4-6-17-13-3-2-11(16)8-12(13)14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine?
6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-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 6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 154861094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).