[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

C19H22N6O — CID 119649859

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCNCC1CCCN1C(=O)c1nnn(-c2cccc3cccnc23)c1C
InChIInChI=1S/C19H22N6O/c1-13-17(19(26)24-11-5-8-15(24)12-20-2)22-23-25(13)16-9-3-6-14-7-4-10-21-18(14)16/h3-4,6-7,9-10,15,20H,5,8,11-12H2,1-2H3
InChIKeyJHYABOLDGDBQLO-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.95
Rot. Bonds4

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (PubChem CID 119649859) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
PubChem CID119649859
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCNCC1CCCN1C(=O)c1nnn(-c2cccc3cccnc23)c1C
InChIInChI=1S/C19H22N6O/c1-13-17(19(26)24-11-5-8-15(24)12-20-2)22-23-25(13)16-9-3-6-14-7-4-10-21-18(14)16/h3-4,6-7,9-10,15,20H,5,8,11-12H2,1-2H3
InChIKeyJHYABOLDGDBQLO-UHFFFAOYSA-N
XLogP1.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649295
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649270
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
[2-(aminomethyl)pyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119633171
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 120534404

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (CID 119649859) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is CNCC1CCCN1C(=O)c1nnn(-c2cccc3cccnc23)c1C.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The InChIKey is JHYABOLDGDBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-17(19(26)24-11-5-8-15(24)12-20-2)22-23-25(13)16-9-3-6-14-7-4-10-21-18(14)16/h3-4,6-7,9-10,15,20H,5,8,11-12H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is sourced from PubChem (CID 119649859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).