N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine

C25H21N3OS — CID 169487709

IUPACN-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(C)cc(Nc3nc(-c4cccc5ccccc45)cs3)c2c1
InChIInChI=1S/C25H21N3OS/c1-3-29-18-11-12-22-21(14-18)23(13-16(2)26-22)27-25-28-24(15-30-25)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3,(H,26,27,28)
InChIKeyKWNVZIKIBGDQJG-UHFFFAOYSA-N
MW411.53 g/mol
LogP6.96
Rot. Bonds5

About N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine

N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 169487709) has the molecular formula C25H21N3OS and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID169487709
Molecular FormulaC25H21N3OS
Molecular Weight411.53 g/mol
Exact Mass411.14
IUPAC NameN-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(C)cc(Nc3nc(-c4cccc5ccccc45)cs3)c2c1
InChIInChI=1S/C25H21N3OS/c1-3-29-18-11-12-22-21(14-18)23(13-16(2)26-22)27-25-28-24(15-30-25)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3,(H,26,27,28)
InChIKeyKWNVZIKIBGDQJG-UHFFFAOYSA-N
XLogP6.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
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
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 44587237

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine (CID 169487709) is N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine is CCOc1ccc2nc(C)cc(Nc3nc(-c4cccc5ccccc45)cs3)c2c1.
What is the InChIKey of N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is KWNVZIKIBGDQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3OS/c1-3-29-18-11-12-22-21(14-18)23(13-16(2)26-22)27-25-28-24(15-30-25)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3,(H,26,27,28).
What are the key properties of N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 411.53 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 169487709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).