8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine

C18H21N5O — CID 167819103

IUPAC8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
SMILESCc1cccc2ccc(NCc3nc(C4CCOCC4)n[nH]3)nc12
InChIInChI=1S/C18H21N5O/c1-12-3-2-4-13-5-6-15(20-17(12)13)19-11-16-21-18(23-22-16)14-7-9-24-10-8-14/h2-6,14H,7-11H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyJSGUQXDYJXUZEJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.17
Rot. Bonds4

About 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine

8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine (PubChem CID 167819103) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
PubChem CID167819103
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
SMILESCc1cccc2ccc(NCc3nc(C4CCOCC4)n[nH]3)nc12
InChIInChI=1S/C18H21N5O/c1-12-3-2-4-13-5-6-15(20-17(12)13)19-11-16-21-18(23-22-16)14-7-9-24-10-8-14/h2-6,14H,7-11H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyJSGUQXDYJXUZEJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138057545
N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzothiazol-2-amine
CID 126836098
N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline
CID 61339126
N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 146142708
2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
CID 126831342
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
CID 53264447
5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine
CID 138008294
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
CID 74230614
7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 138020376
3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
CID 74239172
N-benzyl-5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
CID 71544095
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine?
The IUPAC name of 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine (CID 167819103) is 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine.
What is the SMILES notation for 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine?
The canonical SMILES for 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine is Cc1cccc2ccc(NCc3nc(C4CCOCC4)n[nH]3)nc12.
What is the InChIKey of 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine?
The InChIKey is JSGUQXDYJXUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-3-2-4-13-5-6-15(20-17(12)13)19-11-16-21-18(23-22-16)14-7-9-24-10-8-14/h2-6,14H,7-11H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine?
8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine is sourced from PubChem (CID 167819103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).