4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide

C102H105N25O — CID 172955357

IUPAC4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(/C=C/c2c(N)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCC)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCN(C)C)ncc3ccccc23)cc1
InChIInChI=1S/C22H26N6.C21H21N5.C21H23N5.C20H19N5.C18H16N4O/c1-28(2)14-6-5-9-20-21(19-8-4-3-7-17(19)15-25-20)27-26-18-12-10-16(11-13-18)22(23)24;22-21(23)15-8-10-17(11-9-15)25-26-20-18-4-2-1-3-16(18)13-24-19(20)12-7-14-5-6-14;1-2-3-4-9-19-20(18-8-6-5-7-16(18)14-24-19)26-25-17-12-10-15(11-13-17)21(22)23;21-20(22)14-7-9-16(10-8-14)24-25-19-17-4-2-1-3-15(17)12-23-18(19)11-13-5-6-13;19-17(22-23)13-8-5-12(6-9-13)7-10-16-15-4-2-1-3-14(15)11-21-18(16)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H3,23,24);1-4,8-11,13-14H,5-7,12H2,(H3,22,23);5-8,10-14H,2-4,9H2,1H3,(H3,22,23);1-4,7-10,12-13H,5-6,11H2,(H3,21,22);1-11,23H,(H2,19,22)(H2,20,21)/b27-26+;2*26-25+;25-24+;10-7+
InChIKeyKARHUBQAZIHHOR-FDUZGTJNSA-N
MW1697.14 g/mol
LogP23.73
Rot. Bonds29

About 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide

4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide (PubChem CID 172955357) has the molecular formula C102H105N25O and a molecular weight of 1697.14 g/mol. Its IUPAC name is 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide
PubChem CID172955357
Molecular FormulaC102H105N25O
Molecular Weight1697.14 g/mol
Exact Mass1695.89
IUPAC Name4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(/C=C/c2c(N)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCC)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCN(C)C)ncc3ccccc23)cc1
InChIInChI=1S/C22H26N6.C21H21N5.C21H23N5.C20H19N5.C18H16N4O/c1-28(2)14-6-5-9-20-21(19-8-4-3-7-17(19)15-25-20)27-26-18-12-10-16(11-13-18)22(23)24;22-21(23)15-8-10-17(11-9-15)25-26-20-18-4-2-1-3-16(18)13-24-19(20)12-7-14-5-6-14;1-2-3-4-9-19-20(18-8-6-5-7-16(18)14-24-19)26-25-17-12-10-15(11-13-17)21(22)23;21-20(22)14-7-9-16(10-8-14)24-25-19-17-4-2-1-3-15(17)12-23-18(19)11-13-5-6-13;19-17(22-23)13-8-5-12(6-9-13)7-10-16-15-4-2-1-3-14(15)11-21-18(16)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H3,23,24);1-4,8-11,13-14H,5-7,12H2,(H3,22,23);5-8,10-14H,2-4,9H2,1H3,(H3,22,23);1-4,7-10,12-13H,5-6,11H2,(H3,21,22);1-11,23H,(H2,19,22)(H2,20,21)/b27-26+;2*26-25+;25-24+;10-7+
InChIKeyKARHUBQAZIHHOR-FDUZGTJNSA-N
XLogP23.73
TPSA450.68 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.14
LogP ≤ 523.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide with MolForge

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Related Compounds

4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide
CID 158492866
4-aminobenzenecarboximidamide;6-bromo-3-chloroisoquinoline;bis(4-[[6-bromo-3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide);4-(6-bromoisoquinolin-3-yl)-N,N-dimethylbutan-1-amine;N',N'-dimethylpropane-1,3-diamine
CID 162249552
4-[(3-amino-5-bromoisoquinolin-4-yl)diazenyl]benzenecarboximidamide
CID 118687485
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
4-[[amino-[(Z)-2-amino-2-(3-aminoisoquinolin-4-yl)ethenyl]amino]methyl]-N'-hydroxybenzenecarboximidamide;ethane
CID 145004991
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
6-(N-butylanilino)pyridine-3-carboximidamide
CID 64584617
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
(5-amino-3-tritiofuran-2-yl)methyl 2-[6-bromo-4-[(4-carbamimidoylphenyl)diazenyl]isoquinolin-3-yl]acetate
CID 158391441
4-[2-(3-aminoisoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 118687647

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The IUPAC name of 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide (CID 172955357) is 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide is N/C(=N/O)c1ccc(/C=C/c2c(N)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCC3CC3)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCC)ncc3ccccc23)cc1.[H]/N=C(\N)c1ccc(/N=N/c2c(CCCCN(C)C)ncc3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The InChIKey is KARHUBQAZIHHOR-FDUZGTJNSA-N. The full InChI is InChI=1S/C22H26N6.C21H21N5.C21H23N5.C20H19N5.C18H16N4O/c1-28(2)14-6-5-9-20-21(19-8-4-3-7-17(19)15-25-20)27-26-18-12-10-16(11-13-18)22(23)24;22-21(23)15-8-10-17(11-9-15)25-26-20-18-4-2-1-3-16(18)13-24-19(20)12-7-14-5-6-14;1-2-3-4-9-19-20(18-8-6-5-7-16(18)14-24-19)26-25-17-12-10-15(11-13-17)21(22)23;21-20(22)14-7-9-16(10-8-14)24-25-19-17-4-2-1-3-15(17)12-23-18(19)11-13-5-6-13;19-17(22-23)13-8-5-12(6-9-13)7-10-16-15-4-2-1-3-14(15)11-21-18(16)20/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H3,23,24);1-4,8-11,13-14H,5-7,12H2,(H3,22,23);5-8,10-14H,2-4,9H2,1H3,(H3,22,23);1-4,7-10,12-13H,5-6,11H2,(H3,21,22);1-11,23H,(H2,19,22)(H2,20,21)/b27-26+;2*26-25+;25-24+;10-7+.
What are the key properties of 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide has a molecular weight of 1697.14 g/mol, XLogP of 23.73, 29 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[[3-(2-cyclopropylethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-(cyclopropylmethyl)isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[[3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide;4-[(3-pentylisoquinolin-4-yl)diazenyl]benzenecarboximidamide is sourced from PubChem (CID 172955357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).