(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine

C17H19N5O — CID 129341152

IUPAC(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
SMILESCn1cnnc1[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C17H19N5O/c1-21-12-18-20-17(21)16-11-22(8-9-23-16)10-14-7-6-13-4-2-3-5-15(13)19-14/h2-7,12,16H,8-11H2,1H3/t16-/m0/s1
InChIKeyRBLOJJQXZCGWKX-INIZCTEOSA-N
MW309.37 g/mol
LogP1.94
Rot. Bonds3

About (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine

(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine (PubChem CID 129341152) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
PubChem CID129341152
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
SMILESCn1cnnc1[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C17H19N5O/c1-21-12-18-20-17(21)16-11-22(8-9-23-16)10-14-7-6-13-4-2-3-5-15(13)19-14/h2-7,12,16H,8-11H2,1H3/t16-/m0/s1
InChIKeyRBLOJJQXZCGWKX-INIZCTEOSA-N
XLogP1.94
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
(2S)-2-(5-methyl-2-pyridinyl)-4-(quinolin-2-ylmethyl)morpholine
CID 124998096
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129338250
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine (CID 129341152) is (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine is Cn1cnnc1[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1.
What is the InChIKey of (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine?
The InChIKey is RBLOJJQXZCGWKX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-12-18-20-17(21)16-11-22(8-9-23-16)10-14-7-6-13-4-2-3-5-15(13)19-14/h2-7,12,16H,8-11H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine?
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine has a molecular weight of 309.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine is sourced from PubChem (CID 129341152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).