azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate

C28H31N7O2 — CID 66684568

IUPACazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])nnn45)[C@H](C)C3)cccc2n1.[NH4+]
InChIInChI=1S/C28H28N6O2.H3N/c1-18-9-10-22-23(29-18)6-4-7-24(22)33-16-15-32(19(2)17-33)14-13-20-5-3-8-25-21(20)11-12-26-27(28(35)36)30-31-34(25)26;/h3-12,19H,13-17H2,1-2H3,(H,35,36);1H3/t19-;/m1./s1
InChIKeyGPBFRBNFTMJCDE-FSRHSHDFSA-N
MW497.60 g/mol
LogP3.23
Rot. Bonds5

About azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate

azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate (PubChem CID 66684568) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
PubChem CID66684568
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Nameazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])nnn45)[C@H](C)C3)cccc2n1.[NH4+]
InChIInChI=1S/C28H28N6O2.H3N/c1-18-9-10-22-23(29-18)6-4-7-24(22)33-16-15-32(19(2)17-33)14-13-20-5-3-8-25-21(20)11-12-26-27(28(35)36)30-31-34(25)26;/h3-12,19H,13-17H2,1-2H3,(H,35,36);1H3/t19-;/m1./s1
InChIKeyGPBFRBNFTMJCDE-FSRHSHDFSA-N
XLogP3.23
TPSA126.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate with MolForge

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Related Compounds

azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate
CID 66682428
6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66682429
azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
CID 173008107
6-[2-[(2R)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-4,5-dihydrotriazolo[1,5-a]quinoline-3-carboxylic acid
CID 58064114
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
1-methyl-7-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,5-dihydropyrimido[2,1-c][1,4]benzoxazine
CID 143193417
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
5-[(3R,5S)-4-methanidyl-3,5-dimethylpiperazin-1-yl]-2-methylquinoline
CID 59141028
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline
CID 72527043
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299

Frequently Asked Questions

What is the IUPAC name of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate (CID 66684568) is azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate is Cc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])nnn45)[C@H](C)C3)cccc2n1.[NH4+].
What is the InChIKey of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate?
The InChIKey is GPBFRBNFTMJCDE-FSRHSHDFSA-N. The full InChI is InChI=1S/C28H28N6O2.H3N/c1-18-9-10-22-23(29-18)6-4-7-24(22)33-16-15-32(19(2)17-33)14-13-20-5-3-8-25-21(20)11-12-26-27(28(35)36)30-31-34(25)26;/h3-12,19H,13-17H2,1-2H3,(H,35,36);1H3/t19-;/m1./s1.
What are the key properties of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate?
azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate has a molecular weight of 497.60 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 66684568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).