(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

C18H20N6O — CID 119577878

IUPAC(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCNC(C)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H20N6O/c1-12-11-23(10-9-19-12)18(25)16-13(2)24(22-21-16)15-7-3-5-14-6-4-8-20-17(14)15/h3-8,12,19H,9-11H2,1-2H3
InChIKeyCZPAPJCLQXIUMH-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.56
Rot. Bonds2

About (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (PubChem CID 119577878) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
PubChem CID119577878
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCNC(C)C2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C18H20N6O/c1-12-11-23(10-9-19-12)18(25)16-13(2)24(22-21-16)15-7-3-5-14-6-4-8-20-17(14)15/h3-8,12,19H,9-11H2,1-2H3
InChIKeyCZPAPJCLQXIUMH-UHFFFAOYSA-N
XLogP1.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone with MolForge

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Related Compounds

[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 120534404
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone (CID 119577878) is (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCNC(C)C2)nnn1-c1cccc2cccnc12.
What is the InChIKey of (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
The InChIKey is CZPAPJCLQXIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-11-23(10-9-19-12)18(25)16-13(2)24(22-21-16)15-7-3-5-14-6-4-8-20-17(14)15/h3-8,12,19H,9-11H2,1-2H3.
What are the key properties of (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone?
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone is sourced from PubChem (CID 119577878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).