8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride

C78H107BrCl2N22O5 — CID 158709554

IUPAC8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CCN(CC)CCN.Cl.Cl.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CCCCC2)c2nccnc12
InChIInChI=1S/C21H28N6O.C18H21N5O2.C14H14N4.C9H4BrN3.C9H18N2O2.C6H16N2.CH4.2ClH/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20;1-18(2,3)25-17(24)23-10-8-22(9-11-23)14-5-4-13(12-19)15-16(14)21-7-6-20-15;15-10-11-4-5-12(18-8-2-1-3-9-18)14-13(11)16-6-7-17-14;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-8(4-2)6-5-7;;;/h7-10H,3-6,11-15H2,1-2H3;4-7H,8-11H2,1-3H3;4-7H,1-3,8-9H2;1-4H;10H,4-7H2,1-3H3;3-7H2,1-2H3;1H4;2*1H
InChIKeyVZBIJROTTAOVGH-UHFFFAOYSA-N
MW1583.67 g/mol
LogP12.18
Rot. Bonds13

About 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride

8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride (PubChem CID 158709554) has the molecular formula C78H107BrCl2N22O5 and a molecular weight of 1583.67 g/mol. Its IUPAC name is 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride
PubChem CID158709554
Molecular FormulaC78H107BrCl2N22O5
Molecular Weight1583.67 g/mol
Exact Mass1580.74
IUPAC Name8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CCN(CC)CCN.Cl.Cl.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CCCCC2)c2nccnc12
InChIInChI=1S/C21H28N6O.C18H21N5O2.C14H14N4.C9H4BrN3.C9H18N2O2.C6H16N2.CH4.2ClH/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20;1-18(2,3)25-17(24)23-10-8-22(9-11-23)14-5-4-13(12-19)15-16(14)21-7-6-20-15;15-10-11-4-5-12(18-8-2-1-3-9-18)14-13(11)16-6-7-17-14;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-8(4-2)6-5-7;;;/h7-10H,3-6,11-15H2,1-2H3;4-7H,8-11H2,1-3H3;4-7H,1-3,8-9H2;1-4H;10H,4-7H2,1-3H3;3-7H2,1-2H3;1H4;2*1H
InChIKeyVZBIJROTTAOVGH-UHFFFAOYSA-N
XLogP12.18
TPSA331.92 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.67
LogP ≤ 512.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride with MolForge

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Related Compounds

dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide
CID 157481358
Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate;methane
CID 157717971
Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate;methane
CID 158032311
bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate
CID 158539553
Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate
CID 159759081
dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methane;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide
CID 161304139
5-[3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile;5-bromoquinoline-8-carbonitrile;tert-butyl N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate;tert-butyl N-[5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 161720208
bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate;methane
CID 162215174
5-[3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile;5-bromoquinoline-8-carbonitrile;tert-butyl N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate;tert-butyl N-[5-(trifluoromethyl)piperidin-3-yl]carbamate;methane
CID 162238965
8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 157159999
8-[(3R,5S)-3-amino-5-fluoropiperidin-1-yl]quinoxaline-5-carbonitrile;5-bromoquinoline-8-carbonitrile;tert-butyl 2-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-fluoropiperidin-3-yl]acetate;tert-butyl 2-[(3R,5S)-5-fluoropiperidin-3-yl]acetate;hydrochloride
CID 158073495
(2R)-2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]propanamide;8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;tert-butyl N-[(2R)-1-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 158424140

Frequently Asked Questions

What is the IUPAC name of 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride?
The IUPAC name of 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride (CID 158709554) is 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride.
What is the SMILES notation for 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride?
The canonical SMILES for 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride is C.CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.CCN(CC)CCN.Cl.Cl.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CCCCC2)c2nccnc12.
What is the InChIKey of 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride?
The InChIKey is VZBIJROTTAOVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O.C18H21N5O2.C14H14N4.C9H4BrN3.C9H18N2O2.C6H16N2.CH4.2ClH/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20;1-18(2,3)25-17(24)23-10-8-22(9-11-23)14-5-4-13(12-19)15-16(14)21-7-6-20-15;15-10-11-4-5-12(18-8-2-1-3-9-18)14-13(11)16-6-7-17-14;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-8(4-2)6-5-7;;;/h7-10H,3-6,11-15H2,1-2H3;4-7H,8-11H2,1-3H3;4-7H,1-3,8-9H2;1-4H;10H,4-7H2,1-3H3;3-7H2,1-2H3;1H4;2*1H.
What are the key properties of 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride?
8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride has a molecular weight of 1583.67 g/mol, XLogP of 12.18, 13 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinoxaline-5-carbonitrile;tert-butyl 4-(8-cyanoquinoxalin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile;N',N'-diethylethane-1,2-diamine;methane;8-piperidin-1-ylquinoxaline-5-carbonitrile;dihydrochloride is sourced from PubChem (CID 158709554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).