amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine

C82H71N17O4 — CID 161329880

IUPACamino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine
SMILESCC1(C)CN=C(c2ccc(C#Cc3cc4ccccc4nc3N)cc2)N1.Cc1ccc2cnc(N)c(/C=C/c3ccc(C(N)=NO)cc3)c2c1.[H]/N=C(\ON)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.[H]/N=C(\ON)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C22H18N4O.C22H20N4.C19H15N5O2.C19H18N4O/c23-21-13-19(18-3-1-2-4-20(18)26-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)27-25;1-22(2)14-24-21(26-22)16-10-7-15(8-11-16)9-12-18-13-17-5-3-4-6-19(17)25-20(18)23;20-17-9-14(13-3-1-2-4-15(13)24-17)16-10-23-19(25-16)12-7-5-11(6-8-12)18(21)26-22;1-12-2-6-15-11-22-19(21)16(17(15)10-12)9-5-13-3-7-14(8-4-13)18(20)23-24/h1-13,24H,25H2,(H2,23,26);3-8,10-11,13H,14H2,1-2H3,(H2,23,25)(H,24,26);1-10,21H,22H2,(H2,20,24);2-11,24H,1H3,(H2,20,23)(H2,21,22)/b24-22-;;21-18-;9-5+
InChIKeyVLGUXZOHLJVQFN-QRSXROPASA-N
MW1358.58 g/mol
LogP14.46
Rot. Bonds10

About amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine

amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine (PubChem CID 161329880) has the molecular formula C82H71N17O4 and a molecular weight of 1358.58 g/mol. Its IUPAC name is amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine.

Molecular Properties

Compound Nameamino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine
PubChem CID161329880
Molecular FormulaC82H71N17O4
Molecular Weight1358.58 g/mol
Exact Mass1357.59
IUPAC Nameamino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine
SMILESCC1(C)CN=C(c2ccc(C#Cc3cc4ccccc4nc3N)cc2)N1.Cc1ccc2cnc(N)c(/C=C/c3ccc(C(N)=NO)cc3)c2c1.[H]/N=C(\ON)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.[H]/N=C(\ON)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C22H18N4O.C22H20N4.C19H15N5O2.C19H18N4O/c23-21-13-19(18-3-1-2-4-20(18)26-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)27-25;1-22(2)14-24-21(26-22)16-10-7-15(8-11-16)9-12-18-13-17-5-3-4-6-19(17)25-20(18)23;20-17-9-14(13-3-1-2-4-15(13)24-17)16-10-23-19(25-16)12-7-5-11(6-8-12)18(21)26-22;1-12-2-6-15-11-22-19(21)16(17(15)10-12)9-5-13-3-7-14(8-4-13)18(20)23-24/h1-13,24H,25H2,(H2,23,26);3-8,10-11,13H,14H2,1-2H3,(H2,23,25)(H,24,26);1-10,21H,22H2,(H2,20,24);2-11,24H,1H3,(H2,20,23)(H2,21,22)/b24-22-;;21-18-;9-5+
InChIKeyVLGUXZOHLJVQFN-QRSXROPASA-N
XLogP14.46
TPSA382.87 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001358.58
LogP ≤ 514.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 132056072
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056483
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 132056574
2-(1-methylpiperidin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056714
2-(4-methylpiperazin-1-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056724
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 132056964
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 138559098
6-(2-Methyl-6-(5-methyloxazol-2-yl)phenyl)-3-morpholinoquinolin-2-amine
CID 67326082
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 132077651
3-(4-methylpiperazin-1-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]benzamide
CID 132077899
2-methylidene-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-5-(4-methylpiperazin-1-yl)pentanamide
CID 132081432
4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide
CID 137305799

Frequently Asked Questions

What is the IUPAC name of amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine?
The IUPAC name of amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine (CID 161329880) is amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine.
What is the SMILES notation for amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine?
The canonical SMILES for amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine is CC1(C)CN=C(c2ccc(C#Cc3cc4ccccc4nc3N)cc2)N1.Cc1ccc2cnc(N)c(/C=C/c3ccc(C(N)=NO)cc3)c2c1.[H]/N=C(\ON)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.[H]/N=C(\ON)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1.
What is the InChIKey of amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine?
The InChIKey is VLGUXZOHLJVQFN-QRSXROPASA-N. The full InChI is InChI=1S/C22H18N4O.C22H20N4.C19H15N5O2.C19H18N4O/c23-21-13-19(18-3-1-2-4-20(18)26-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)27-25;1-22(2)14-24-21(26-22)16-10-7-15(8-11-16)9-12-18-13-17-5-3-4-6-19(17)25-20(18)23;20-17-9-14(13-3-1-2-4-15(13)24-17)16-10-23-19(25-16)12-7-5-11(6-8-12)18(21)26-22;1-12-2-6-15-11-22-19(21)16(17(15)10-12)9-5-13-3-7-14(8-4-13)18(20)23-24/h1-13,24H,25H2,(H2,23,26);3-8,10-11,13H,14H2,1-2H3,(H2,23,25)(H,24,26);1-10,21H,22H2,(H2,20,24);2-11,24H,1H3,(H2,20,23)(H2,21,22)/b24-22-;;21-18-;9-5+.
What are the key properties of amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine?
amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine has a molecular weight of 1358.58 g/mol, XLogP of 14.46, 10 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine is sourced from PubChem (CID 161329880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).