[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone

C20H23N5O2 — CID 46996489

IUPAC[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
SMILESCOCc1cn(C2CCN(C(=O)c3ccnc4ccc(C)cc34)CC2)nn1
InChIInChI=1S/C20H23N5O2/c1-14-3-4-19-18(11-14)17(5-8-21-19)20(26)24-9-6-16(7-10-24)25-12-15(13-27-2)22-23-25/h3-5,8,11-12,16H,6-7,9-10,13H2,1-2H3
InChIKeyDSTBCHPPSJXEFB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.76
Rot. Bonds4

About [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone

[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone (PubChem CID 46996489) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
PubChem CID46996489
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
SMILESCOCc1cn(C2CCN(C(=O)c3ccnc4ccc(C)cc34)CC2)nn1
InChIInChI=1S/C20H23N5O2/c1-14-3-4-19-18(11-14)17(5-8-21-19)20(26)24-9-6-16(7-10-24)25-12-15(13-27-2)22-23-25/h3-5,8,11-12,16H,6-7,9-10,13H2,1-2H3
InChIKeyDSTBCHPPSJXEFB-UHFFFAOYSA-N
XLogP2.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126853764
[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 31105407
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 42215892
3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 134161321
tert-butyl 4-[2-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 134161790
(2,5-dimethylphenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891905
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46990972
[(3aR,6R,7aS)-6-(cyclopropylmethoxy)-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(6-methylquinolin-4-yl)methanone
CID 119061079
[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 46983344
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 133468132

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The IUPAC name of [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone (CID 46996489) is [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone is COCc1cn(C2CCN(C(=O)c3ccnc4ccc(C)cc34)CC2)nn1.
What is the InChIKey of [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The InChIKey is DSTBCHPPSJXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-3-4-19-18(11-14)17(5-8-21-19)20(26)24-9-6-16(7-10-24)25-12-15(13-27-2)22-23-25/h3-5,8,11-12,16H,6-7,9-10,13H2,1-2H3.
What are the key properties of [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone is sourced from PubChem (CID 46996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).