6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine

C26H23N3OS — CID 169487793

IUPAC6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2c1
InChIInChI=1S/C26H23N3OS/c1-4-30-20-10-12-22-21(15-20)24(14-17(3)27-22)28-19-8-6-18(7-9-19)26-29-23-11-5-16(2)13-25(23)31-26/h5-15H,4H2,1-3H3,(H,27,28)
InChIKeyZMCXVRNMYCHHOC-UHFFFAOYSA-N
MW425.56 g/mol
LogP7.27
Rot. Bonds5

About 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine

6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine (PubChem CID 169487793) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
PubChem CID169487793
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2c1
InChIInChI=1S/C26H23N3OS/c1-4-30-20-10-12-22-21(15-20)24(14-17(3)27-22)28-19-8-6-18(7-9-19)26-29-23-11-5-16(2)13-25(23)31-26/h5-15H,4H2,1-3H3,(H,27,28)
InChIKeyZMCXVRNMYCHHOC-UHFFFAOYSA-N
XLogP7.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
3-[4-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]-1,1-dimethylurea
CID 166207444
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 44587237
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine (CID 169487793) is 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine?
The InChIKey is ZMCXVRNMYCHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-4-30-20-10-12-22-21(15-20)24(14-17(3)27-22)28-19-8-6-18(7-9-19)26-29-23-11-5-16(2)13-25(23)31-26/h5-15H,4H2,1-3H3,(H,27,28).
What are the key properties of 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine?
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine has a molecular weight of 425.56 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 169487793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).