N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine

C17H23N5O — CID 23536532

IUPACN-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
SMILESCOCCCNc1ncnc(N2CCCc3cc(C)ccc32)n1
InChIInChI=1S/C17H23N5O/c1-13-6-7-15-14(11-13)5-3-9-22(15)17-20-12-19-16(21-17)18-8-4-10-23-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19,20,21)
InChIKeyIKNLABGHTFIIPX-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.71
Rot. Bonds6

About N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine

N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 23536532) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
PubChem CID23536532
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
SMILESCOCCCNc1ncnc(N2CCCc3cc(C)ccc32)n1
InChIInChI=1S/C17H23N5O/c1-13-6-7-15-14(11-13)5-3-9-22(15)17-20-12-19-16(21-17)18-8-4-10-23-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19,20,21)
InChIKeyIKNLABGHTFIIPX-UHFFFAOYSA-N
XLogP2.71
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

ethyl 2-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
CID 23536179
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
1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 107079634
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
2-N-(2-chloroethyl)-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 67709782
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 94674661
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
1-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-amine
CID 81102110
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine (CID 23536532) is N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine is COCCCNc1ncnc(N2CCCc3cc(C)ccc32)n1.
What is the InChIKey of N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is IKNLABGHTFIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-7-15-14(11-13)5-3-9-22(15)17-20-12-19-16(21-17)18-8-4-10-23-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine?
N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).