N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine

C17H19N3S — CID 133369314

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
SMILESCc1nc(CCNc2ccnc3c(C)cccc23)sc1C
InChIInChI=1S/C17H19N3S/c1-11-5-4-6-14-15(7-9-19-17(11)14)18-10-8-16-20-12(2)13(3)21-16/h4-7,9H,8,10H2,1-3H3,(H,18,19)
InChIKeyIJTPNVNXJXCWAZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.27
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine (PubChem CID 133369314) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
PubChem CID133369314
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
SMILESCc1nc(CCNc2ccnc3c(C)cccc23)sc1C
InChIInChI=1S/C17H19N3S/c1-11-5-4-6-14-15(7-9-19-17(11)14)18-10-8-16-20-12(2)13(3)21-16/h4-7,9H,8,10H2,1-3H3,(H,18,19)
InChIKeyIJTPNVNXJXCWAZ-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394287
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
8-methyl-N-(thiolan-2-ylmethyl)quinolin-4-amine
CID 133368980
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547
2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine (CID 133369314) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine is Cc1nc(CCNc2ccnc3c(C)cccc23)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine?
The InChIKey is IJTPNVNXJXCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-5-4-6-14-15(7-9-19-17(11)14)18-10-8-16-20-12(2)13(3)21-16/h4-7,9H,8,10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine is sourced from PubChem (CID 133369314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).