2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

C17H18ClN5O — CID 10936847

IUPAC2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCOc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C17H18ClN5O/c1-24-15-6-7-21-13-8-10(11-4-2-3-5-12(11)18)9-14(16(13)15)22-23-17(19)20/h2-7,10H,8-9H2,1H3,(H4,19,20,23)/b22-14+
InChIKeyUNUUDMGTESLXRG-HYARGMPZSA-N
MW343.82 g/mol
LogP2.45
Rot. Bonds3

About 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 10936847) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
PubChem CID10936847
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCOc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C17H18ClN5O/c1-24-15-6-7-21-13-8-10(11-4-2-3-5-12(11)18)9-14(16(13)15)22-23-17(19)20/h2-7,10H,8-9H2,1H3,(H4,19,20,23)/b22-14+
InChIKeyUNUUDMGTESLXRG-HYARGMPZSA-N
XLogP2.45
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 10936847) is 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is COc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)C2.
What is the InChIKey of 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The InChIKey is UNUUDMGTESLXRG-HYARGMPZSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-24-15-6-7-21-13-8-10(11-4-2-3-5-12(11)18)9-14(16(13)15)22-23-17(19)20/h2-7,10H,8-9H2,1H3,(H4,19,20,23)/b22-14+.
What are the key properties of 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 343.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[7-(2-chlorophenyl)-4-methoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is sourced from PubChem (CID 10936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).