ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate

C17H21N5O2 — CID 23536179

IUPACethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1ncnc(N2CCCc3cc(C)ccc32)n1
InChIInChI=1S/C17H21N5O2/c1-3-24-15(23)10-18-16-19-11-20-17(21-16)22-8-4-5-13-9-12(2)6-7-14(13)22/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyMOHKYSJFFXBYSZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 23536179) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID23536179
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Nameethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1ncnc(N2CCCc3cc(C)ccc32)n1
InChIInChI=1S/C17H21N5O2/c1-3-24-15(23)10-18-16-19-11-20-17(21-16)22-8-4-5-13-9-12(2)6-7-14(13)22/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyMOHKYSJFFXBYSZ-UHFFFAOYSA-N
XLogP2.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
CID 23536532
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
N-[2-(1H-indol-3-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
CID 23536315
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 107079634
5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
CID 114405287
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
[6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]hydrazine
CID 80916496
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
CID 58432913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate (CID 23536179) is ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1ncnc(N2CCCc3cc(C)ccc32)n1.
What is the InChIKey of ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is MOHKYSJFFXBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-24-15(23)10-18-16-19-11-20-17(21-16)22-8-4-5-13-9-12(2)6-7-14(13)22/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,20,21).
What are the key properties of ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 327.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 23536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).