(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide

C17H20N4O2 — CID 146475061

IUPAC(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC(c1ccc2cccnc2c1O)C(C)C
InChIInChI=1S/C17H20N4O2/c1-10(2)14(21-17(23)12(8-18)9-19)13-6-5-11-4-3-7-20-15(11)16(13)22/h3-10,14,18,22H,19H2,1-2H3,(H,21,23)/b12-9+,18-8+
InChIKeyXDAGGBYVZIDFGB-VYPTZEEMSA-N
MW312.37 g/mol
LogP2.25
Rot. Bonds5

About (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide

(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide (PubChem CID 146475061) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide
PubChem CID146475061
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC(c1ccc2cccnc2c1O)C(C)C
InChIInChI=1S/C17H20N4O2/c1-10(2)14(21-17(23)12(8-18)9-19)13-6-5-11-4-3-7-20-15(11)16(13)22/h3-10,14,18,22H,19H2,1-2H3,(H,21,23)/b12-9+,18-8+
InChIKeyXDAGGBYVZIDFGB-VYPTZEEMSA-N
XLogP2.25
TPSA112.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide 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-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 146475027
5-[[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]carbamoyl]-1H-pyrrole-3-sulfonyl fluoride
CID 146475007
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
N-[(8-hydroxyquinolin-7-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-methylbutanamide
CID 57383807
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxyquinolin-7-yl)methyl]-3-methylbutanamide
CID 1084497

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide?
The IUPAC name of (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide (CID 146475061) is (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide.
What is the SMILES notation for (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide?
The canonical SMILES for (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide is [H]/N=C/C(=C\N)C(=O)NC(c1ccc2cccnc2c1O)C(C)C.
What is the InChIKey of (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide?
The InChIKey is XDAGGBYVZIDFGB-VYPTZEEMSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)14(21-17(23)12(8-18)9-19)13-6-5-11-4-3-7-20-15(11)16(13)22/h3-10,14,18,22H,19H2,1-2H3,(H,21,23)/b12-9+,18-8+.
What are the key properties of (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide?
(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide is sourced from PubChem (CID 146475061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).