7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride

C30H35Cl2N5O — CID 66684863

IUPAC7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCc1ccc2c(C3CCN(CCc4c(C)ccc5c4CCc4c(C(N)=O)ncn4-5)CC3)cccc2n1.Cl.Cl
InChIInChI=1S/C30H33N5O.2ClH/c1-19-6-10-27-25(9-11-28-29(30(31)36)32-18-35(27)28)22(19)14-17-34-15-12-21(13-16-34)23-4-3-5-26-24(23)8-7-20(2)33-26;;/h3-8,10,18,21H,9,11-17H2,1-2H3,(H2,31,36);2*1H
InChIKeyKWFKNADGGQSWJI-UHFFFAOYSA-N
MW552.55 g/mol
LogP5.50
Rot. Bonds5

About 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride

7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride (PubChem CID 66684863) has the molecular formula C30H35Cl2N5O and a molecular weight of 552.55 g/mol. Its IUPAC name is 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
PubChem CID66684863
Molecular FormulaC30H35Cl2N5O
Molecular Weight552.55 g/mol
Exact Mass551.22
IUPAC Name7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCc1ccc2c(C3CCN(CCc4c(C)ccc5c4CCc4c(C(N)=O)ncn4-5)CC3)cccc2n1.Cl.Cl
InChIInChI=1S/C30H33N5O.2ClH/c1-19-6-10-27-25(9-11-28-29(30(31)36)32-18-35(27)28)22(19)14-17-34-15-12-21(13-16-34)23-4-3-5-26-24(23)8-7-20(2)33-26;;/h3-8,10,18,21H,9,11-17H2,1-2H3,(H2,31,36);2*1H
InChIKeyKWFKNADGGQSWJI-UHFFFAOYSA-N
XLogP5.50
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 173008056
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
(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
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
1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66684218
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
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
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
ethyl 7-methyl-6-(2-oxoethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate
CID 58064212

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The IUPAC name of 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) is 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride is Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4CCc4c(C(N)=O)ncn4-5)CC3)cccc2n1.Cl.Cl.
What is the InChIKey of 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The InChIKey is KWFKNADGGQSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O.2ClH/c1-19-6-10-27-25(9-11-28-29(30(31)36)32-18-35(27)28)22(19)14-17-34-15-12-21(13-16-34)23-4-3-5-26-24(23)8-7-20(2)33-26;;/h3-8,10,18,21H,9,11-17H2,1-2H3,(H2,31,36);2*1H.
What are the key properties of 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride has a molecular weight of 552.55 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 66684863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).