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

C30H33Cl2N5O2 — CID 66683244

IUPACethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl
InChIInChI=1S/C30H31N5O2.2ClH/c1-3-37-30(36)29-28-13-12-23-22(6-4-9-27(23)35(28)20-31-29)14-15-33-16-18-34(19-17-33)26-8-5-7-25-24(26)11-10-21(2)32-25;;/h4-13,20H,3,14-19H2,1-2H3;2*1H
InChIKeyFKLZXOWBRLHMLD-UHFFFAOYSA-N
MW566.53 g/mol
LogP5.73
Rot. Bonds6

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

ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride (PubChem CID 66683244) has the molecular formula C30H33Cl2N5O2 and a molecular weight of 566.53 g/mol. Its IUPAC name is ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
PubChem CID66683244
Molecular FormulaC30H33Cl2N5O2
Molecular Weight566.53 g/mol
Exact Mass565.20
IUPAC Nameethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl
InChIInChI=1S/C30H31N5O2.2ClH/c1-3-37-30(36)29-28-13-12-23-22(6-4-9-27(23)35(28)20-31-29)14-15-33-16-18-34(19-17-33)26-8-5-7-25-24(26)11-10-21(2)32-25;;/h4-13,20H,3,14-19H2,1-2H3;2*1H
InChIKeyFKLZXOWBRLHMLD-UHFFFAOYSA-N
XLogP5.73
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride with MolForge

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Related Compounds

N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
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
azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate
CID 66682428
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-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-N-propan-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide;dihydrochloride
CID 46900781
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
N-cyclopentyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide;dihydrochloride
CID 46900957
azanium 6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylate
CID 66684568
1-cyclopropyl-N-methoxy-1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanimine
CID 76683078

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride?
The IUPAC name of ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride (CID 66683244) is ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride is CCOC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl.
What is the InChIKey of ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride?
The InChIKey is FKLZXOWBRLHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.2ClH/c1-3-37-30(36)29-28-13-12-23-22(6-4-9-27(23)35(28)20-31-29)14-15-33-16-18-34(19-17-33)26-8-5-7-25-24(26)11-10-21(2)32-25;;/h4-13,20H,3,14-19H2,1-2H3;2*1H.
What are the key properties of ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride?
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride has a molecular weight of 566.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride is sourced from PubChem (CID 66683244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).