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

C29H32Cl2N6O — CID 66682679

IUPACN-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl
InChIInChI=1S/C29H30N6O.2ClH/c1-20-9-10-23-24(32-20)6-4-7-25(23)34-17-15-33(16-18-34)14-13-21-5-3-8-26-22(21)11-12-27-28(29(36)30-2)31-19-35(26)27;;/h3-12,19H,13-18H2,1-2H3,(H,30,36);2*1H
InChIKeyOXBZKKKNQCCZGX-UHFFFAOYSA-N
MW551.52 g/mol
LogP4.91
Rot. Bonds5

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

N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride (PubChem CID 66682679) has the molecular formula C29H32Cl2N6O and a molecular weight of 551.52 g/mol. Its IUPAC name is N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
PubChem CID66682679
Molecular FormulaC29H32Cl2N6O
Molecular Weight551.52 g/mol
Exact Mass550.20
IUPAC NameN-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl
InChIInChI=1S/C29H30N6O.2ClH/c1-20-9-10-23-24(32-20)6-4-7-25(23)34-17-15-33(16-18-34)14-13-21-5-3-8-26-22(21)11-12-27-28(29(36)30-2)31-19-35(26)27;;/h3-12,19H,13-18H2,1-2H3,(H,30,36);2*1H
InChIKeyOXBZKKKNQCCZGX-UHFFFAOYSA-N
XLogP4.91
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
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)-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]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
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
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
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
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
azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 173008056
N-methyl-6-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064147

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride (CID 66682679) is N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride is CNC(=O)c1ncn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc12.Cl.Cl.
What is the InChIKey of N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The InChIKey is OXBZKKKNQCCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O.2ClH/c1-20-9-10-23-24(32-20)6-4-7-25(23)34-17-15-33(16-18-34)14-13-21-5-3-8-26-22(21)11-12-27-28(29(36)30-2)31-19-35(26)27;;/h3-12,19H,13-18H2,1-2H3,(H,30,36);2*1H.
What are the key properties of N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride has a molecular weight of 551.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 66682679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).