4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol

C18H16ClN3O — CID 135676152

IUPAC4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
SMILESCC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-16(12-3-6-14(23)7-4-12)21-22-17-9-10-20-18-11-13(19)5-8-15(17)18/h3-11,23H,2H2,1H3,(H,20,22)/b21-16+
InChIKeyWOZNDRYNJWTXRL-LTGZKZEYSA-N
MW325.80 g/mol
LogP4.82
Rot. Bonds4

About 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol

4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol (PubChem CID 135676152) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
PubChem CID135676152
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
SMILESCC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-16(12-3-6-14(23)7-4-12)21-22-17-9-10-20-18-11-13(19)5-8-15(17)18/h3-11,23H,2H2,1H3,(H,20,22)/b21-16+
InChIKeyWOZNDRYNJWTXRL-LTGZKZEYSA-N
XLogP4.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol 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

Amodiaquine
CID 2165
Amodiaquine Hydrochloride
CID 64646
Amopyroquine
CID 25194
Desethylamodiaquine
CID 122068
Tebuquine
CID 71991
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
Gsk-369796
CID 10316203
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886
Desethyl isoquine
CID 11450263

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol (CID 135676152) is 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol is CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol?
The InChIKey is WOZNDRYNJWTXRL-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-16(12-3-6-14(23)7-4-12)21-22-17-9-10-20-18-11-13(19)5-8-15(17)18/h3-11,23H,2H2,1H3,(H,20,22)/b21-16+.
What are the key properties of 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol?
4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol has a molecular weight of 325.80 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol is sourced from PubChem (CID 135676152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).