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

C30H32Cl2N6O2 — CID 66683444

IUPAC3-(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
SMILESCc1ccc2c(C3CCN(CCc4cccc5c4OCc4c(-c6nc(C)no6)ncn4-5)CC3)cccc2n1.Cl.Cl
InChIInChI=1S/C30H30N6O2.2ClH/c1-19-9-10-24-23(6-4-7-25(24)32-19)21-11-14-35(15-12-21)16-13-22-5-3-8-26-29(22)37-17-27-28(31-18-36(26)27)30-33-20(2)34-38-30;;/h3-10,18,21H,11-17H2,1-2H3;2*1H
InChIKeyZEGKDXOSBBDDGL-UHFFFAOYSA-N
MW579.53 g/mol
LogP6.25
Rot. Bonds5

About 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

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 (PubChem CID 66683444) has the molecular formula C30H32Cl2N6O2 and a molecular weight of 579.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID66683444
Molecular FormulaC30H32Cl2N6O2
Molecular Weight579.53 g/mol
Exact Mass578.20
IUPAC Name3-(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
SMILESCc1ccc2c(C3CCN(CCc4cccc5c4OCc4c(-c6nc(C)no6)ncn4-5)CC3)cccc2n1.Cl.Cl
InChIInChI=1S/C30H30N6O2.2ClH/c1-19-9-10-24-23(6-4-7-25(24)32-19)21-11-14-35(15-12-21)16-13-22-5-3-8-26-29(22)37-17-27-28(31-18-36(26)27)30-33-20(2)34-38-30;;/h3-10,18,21H,11-17H2,1-2H3;2*1H
InChIKeyZEGKDXOSBBDDGL-UHFFFAOYSA-N
XLogP6.25
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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
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-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
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
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-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
N,N-dimethyl-6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064227
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,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
6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine;dihydrochloride
CID 66684910
1-ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
CID 66684218

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(C3CCN(CCc4cccc5c4OCc4c(-c6nc(C)no6)ncn4-5)CC3)cccc2n1.Cl.Cl.
What is the InChIKey of 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?
The InChIKey is ZEGKDXOSBBDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2.2ClH/c1-19-9-10-24-23(6-4-7-25(24)32-19)21-11-14-35(15-12-21)16-13-22-5-3-8-26-29(22)37-17-27-28(31-18-36(26)27)30-33-20(2)34-38-30;;/h3-10,18,21H,11-17H2,1-2H3;2*1H.
What are the key properties of 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?
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 has a molecular weight of 579.53 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66683444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).