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

C29H32N6O2 — CID 66682428

IUPACazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])ncn45)[C@H](C)C3)cccc2n1.[NH4+]
InChIInChI=1S/C29H29N5O2.H3N/c1-19-9-10-23-24(31-19)6-4-7-25(23)33-16-15-32(20(2)17-33)14-13-21-5-3-8-26-22(21)11-12-27-28(29(35)36)30-18-34(26)27;/h3-12,18,20H,13-17H2,1-2H3,(H,35,36);1H3/t20-;/m1./s1
InChIKeyHNUFEWYVQDMNGX-VEIFNGETSA-N
MW496.62 g/mol
LogP3.84
Rot. Bonds5

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

azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 66682428) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID66682428
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Nameazanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])ncn45)[C@H](C)C3)cccc2n1.[NH4+]
InChIInChI=1S/C29H29N5O2.H3N/c1-19-9-10-23-24(31-19)6-4-7-25(23)33-16-15-32(20(2)17-33)14-13-21-5-3-8-26-22(21)11-12-27-28(29(35)36)30-18-34(26)27;/h3-12,18,20H,13-17H2,1-2H3,(H,35,36);1H3/t20-;/m1./s1
InChIKeyHNUFEWYVQDMNGX-VEIFNGETSA-N
XLogP3.84
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66682429
azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
CID 66684568
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
CID 173008107
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
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
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299
5-[(3R,5S)-4-methanidyl-3,5-dimethylpiperazin-1-yl]-2-methylquinoline
CID 59141028
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 173008056
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986

Frequently Asked Questions

What is the IUPAC name of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[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]imidazo[1,5-a]quinoline-3-carboxylate (CID 66682428) is azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[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]imidazo[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]imidazo[1,5-a]quinoline-3-carboxylate is Cc1ccc2c(N3CCN(CCc4cccc5c4ccc4c(C(=O)[O-])ncn45)[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]imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is HNUFEWYVQDMNGX-VEIFNGETSA-N. The full InChI is InChI=1S/C29H29N5O2.H3N/c1-19-9-10-23-24(31-19)6-4-7-25(23)33-16-15-32(20(2)17-33)14-13-21-5-3-8-26-22(21)11-12-27-28(29(35)36)30-18-34(26)27;/h3-12,18,20H,13-17H2,1-2H3,(H,35,36);1H3/t20-;/m1./s1.
What are the key properties of azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate?
azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 496.62 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 66682428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).