1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid

C31H32N4O2 — CID 66684218

IUPAC1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
SMILESCCc1nc(C(=O)O)c2ccc3c(CCN4CCC(c5cccc6nc(C)ccc56)CC4)cccc3n12
InChIInChI=1S/C31H32N4O2/c1-3-29-33-30(31(36)37)28-13-12-24-21(6-4-9-27(24)35(28)29)14-17-34-18-15-22(16-19-34)23-7-5-8-26-25(23)11-10-20(2)32-26/h4-13,22H,3,14-19H2,1-2H3,(H,36,37)
InChIKeyXMCJTEXNBUCQMZ-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.03
Rot. Bonds6

About 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid

1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid (PubChem CID 66684218) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
PubChem CID66684218
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
SMILESCCc1nc(C(=O)O)c2ccc3c(CCN4CCC(c5cccc6nc(C)ccc56)CC4)cccc3n12
InChIInChI=1S/C31H32N4O2/c1-3-29-33-30(31(36)37)28-13-12-24-21(6-4-9-27(24)35(28)29)14-17-34-18-15-22(16-19-34)23-7-5-8-26-25(23)11-10-20(2)32-26/h4-13,22H,3,14-19H2,1-2H3,(H,36,37)
InChIKeyXMCJTEXNBUCQMZ-UHFFFAOYSA-N
XLogP6.03
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 173008056
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4H-triazolo[5,1-c][1,4]benzoxazine-3-carboxylate;dihydrochloride
CID 66684445
N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064168
azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
CID 173008107
(E)-3-(dimethylamino)-1-[6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]but-2-en-1-one
CID 66684207
7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66684863
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682868
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250436
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine;dihydrochloride
CID 66683444
6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66682429

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid (CID 66684218) is 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid is CCc1nc(C(=O)O)c2ccc3c(CCN4CCC(c5cccc6nc(C)ccc56)CC4)cccc3n12.
What is the InChIKey of 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?
The InChIKey is XMCJTEXNBUCQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-3-29-33-30(31(36)37)28-13-12-24-21(6-4-9-27(24)35(28)29)14-17-34-18-15-22(16-19-34)23-7-5-8-26-25(23)11-10-20(2)32-26/h4-13,22H,3,14-19H2,1-2H3,(H,36,37).
What are the key properties of 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?
1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid has a molecular weight of 492.62 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 66684218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).