N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine

C104H110N36 — CID 157497890

IUPACN-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCCC1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCN(C)CC1.CCC(/N=C1\NC=NC2N=CNC12)c1cc2ccccc2nc1N1CCCC1.CN1CCN(c2nc3ccccc3cc2CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C22H18N6.C21H24N8.C21H25N7.C20H22N8.C20H21N7/c1-14(27-22-20-21(24-12-23-20)25-13-26-22)17-11-16-9-5-6-10-18(16)28-19(17)15-7-3-2-4-8-15;1-14(26-20-18-19(23-12-22-18)24-13-25-20)16-11-15-5-3-4-6-17(15)27-21(16)29-9-7-28(2)8-10-29;1-2-16(26-20-18-19(23-12-22-18)24-13-25-20)15-11-14-7-3-4-8-17(14)27-21(15)28-9-5-6-10-28;1-27-6-8-28(9-7-27)20-15(10-14-4-2-3-5-16(14)26-20)11-21-18-17-19(23-12-22-17)25-13-24-18;1-13(25-19-17-18(22-11-21-17)23-12-24-19)15-10-14-6-2-3-7-16(14)26-20(15)27-8-4-5-9-27/h2-14H,1H3,(H2,23,24,25,26,27);3-6,11-14H,7-10H2,1-2H3,(H2,22,23,24,25,26);3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3,(H,22,23)(H,24,25,26);2-5,10,12-13H,6-9,11H2,1H3,(H2,21,22,23,24,25);2-3,6-7,10-13H,4-5,8-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyBYAWVCJMFHWUOY-UHFFFAOYSA-N
MW1864.28 g/mol
LogP16.15
Rot. Bonds20

About N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine

N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine (PubChem CID 157497890) has the molecular formula C104H110N36 and a molecular weight of 1864.28 g/mol. Its IUPAC name is N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine.

Molecular Properties

Compound NameN-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine
PubChem CID157497890
Molecular FormulaC104H110N36
Molecular Weight1864.28 g/mol
Exact Mass1862.97
IUPAC NameN-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCCC1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCN(C)CC1.CCC(/N=C1\NC=NC2N=CNC12)c1cc2ccccc2nc1N1CCCC1.CN1CCN(c2nc3ccccc3cc2CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C22H18N6.C21H24N8.C21H25N7.C20H22N8.C20H21N7/c1-14(27-22-20-21(24-12-23-20)25-13-26-22)17-11-16-9-5-6-10-18(16)28-19(17)15-7-3-2-4-8-15;1-14(26-20-18-19(23-12-22-18)24-13-25-20)16-11-15-5-3-4-6-17(15)27-21(16)29-9-7-28(2)8-10-29;1-2-16(26-20-18-19(23-12-22-18)24-13-25-20)15-11-14-7-3-4-8-17(14)27-21(15)28-9-5-6-10-28;1-27-6-8-28(9-7-27)20-15(10-14-4-2-3-5-16(14)26-20)11-21-18-17-19(23-12-22-17)25-13-24-18;1-13(25-19-17-18(22-11-21-17)23-12-24-19)15-10-14-6-2-3-7-16(14)26-20(15)27-8-4-5-9-27/h2-14H,1H3,(H2,23,24,25,26,27);3-6,11-14H,7-10H2,1-2H3,(H2,22,23,24,25,26);3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3,(H,22,23)(H,24,25,26);2-5,10,12-13H,6-9,11H2,1H3,(H2,21,22,23,24,25);2-3,6-7,10-13H,4-5,8-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyBYAWVCJMFHWUOY-UHFFFAOYSA-N
XLogP16.15
TPSA410.99 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.28
LogP ≤ 516.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine with MolForge

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)octane-1,8-diamine
CID 56954616
N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
CID 57393217
7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline
CID 122449218
7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline
CID 122449242
7-fluoro-3-[1-(2-methyl-7H-purin-6-yl)pyrrolidin-2-yl]-2-piperidin-1-ylquinoline
CID 138404094
3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
2-methyl-1-[(1R)-1-phenylethyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168283845
2-methyl-1-[(1S)-1-phenylethyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168294625
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)butane-1,4-diamine
CID 56954615
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)decane-1,10-diamine
CID 56954617
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)dodecane-1,12-diamine
CID 56954728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine?
The IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine (CID 157497890) is N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine.
What is the SMILES notation for N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine?
The canonical SMILES for N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine is CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCCC1.CC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2nc1N1CCN(C)CC1.CCC(/N=C1\NC=NC2N=CNC12)c1cc2ccccc2nc1N1CCCC1.CN1CCN(c2nc3ccccc3cc2CNc2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine?
The InChIKey is BYAWVCJMFHWUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6.C21H24N8.C21H25N7.C20H22N8.C20H21N7/c1-14(27-22-20-21(24-12-23-20)25-13-26-22)17-11-16-9-5-6-10-18(16)28-19(17)15-7-3-2-4-8-15;1-14(26-20-18-19(23-12-22-18)24-13-25-20)16-11-15-5-3-4-6-17(15)27-21(16)29-9-7-28(2)8-10-29;1-2-16(26-20-18-19(23-12-22-18)24-13-25-20)15-11-14-7-3-4-8-17(14)27-21(15)28-9-5-6-10-28;1-27-6-8-28(9-7-27)20-15(10-14-4-2-3-5-16(14)26-20)11-21-18-17-19(23-12-22-17)25-13-24-18;1-13(25-19-17-18(22-11-21-17)23-12-24-19)15-10-14-6-2-3-7-16(14)26-20(15)27-8-4-5-9-27/h2-14H,1H3,(H2,23,24,25,26,27);3-6,11-14H,7-10H2,1-2H3,(H2,22,23,24,25,26);3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3,(H,22,23)(H,24,25,26);2-5,10,12-13H,6-9,11H2,1H3,(H2,21,22,23,24,25);2-3,6-7,10-13H,4-5,8-9H2,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine?
N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine has a molecular weight of 1864.28 g/mol, XLogP of 16.15, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine is sourced from PubChem (CID 157497890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).