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

C31H37Cl2N5O — CID 66682868

IUPACN,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1ncn2c1CCc1c-2ccc(C)c1CCN1CCC(c2cccc3nc(C)ccc23)CC1.Cl.Cl
InChIInChI=1S/C31H35N5O.2ClH/c1-20-7-11-28-26(10-12-29-30(31(37)32-3)33-19-36(28)29)23(20)15-18-35-16-13-22(14-17-35)24-5-4-6-27-25(24)9-8-21(2)34-27;;/h4-9,11,19,22H,10,12-18H2,1-3H3,(H,32,37);2*1H
InChIKeyGSDBDIRUMUUFQN-UHFFFAOYSA-N
MW566.58 g/mol
LogP5.76
Rot. Bonds5

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

N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride (PubChem CID 66682868) has the molecular formula C31H37Cl2N5O and a molecular weight of 566.58 g/mol. Its IUPAC name is N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
PubChem CID66682868
Molecular FormulaC31H37Cl2N5O
Molecular Weight566.58 g/mol
Exact Mass565.24
IUPAC NameN,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1ncn2c1CCc1c-2ccc(C)c1CCN1CCC(c2cccc3nc(C)ccc23)CC1.Cl.Cl
InChIInChI=1S/C31H35N5O.2ClH/c1-20-7-11-28-26(10-12-29-30(31(37)32-3)33-19-36(28)29)23(20)15-18-35-16-13-22(14-17-35)24-5-4-6-27-25(24)9-8-21(2)34-27;;/h4-9,11,19,22H,10,12-18H2,1-3H3,(H,32,37);2*1H
InChIKeyGSDBDIRUMUUFQN-UHFFFAOYSA-N
XLogP5.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
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
(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
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
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
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-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
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

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-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 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) is N,7-dimethyl-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 N,7-dimethyl-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 N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride is CNC(=O)c1ncn2c1CCc1c-2ccc(C)c1CCN1CCC(c2cccc3nc(C)ccc23)CC1.Cl.Cl.
What is the InChIKey of N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
The InChIKey is GSDBDIRUMUUFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O.2ClH/c1-20-7-11-28-26(10-12-29-30(31(37)32-3)33-19-36(28)29)23(20)15-18-35-16-13-22(14-17-35)24-5-4-6-27-25(24)9-8-21(2)34-27;;/h4-9,11,19,22H,10,12-18H2,1-3H3,(H,32,37);2*1H.
What are the key properties of N,7-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride?
N,7-dimethyl-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 566.58 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-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 66682868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).