2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol

C20H22IN3O2 — CID 135358994

IUPAC2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol
SMILESCCc1c(O)ccc(Nc2ccnc3cc(I)ccc23)c1CNCCO
InChIInChI=1S/C20H22IN3O2/c1-2-14-16(12-22-9-10-25)17(5-6-20(14)26)24-18-7-8-23-19-11-13(21)3-4-15(18)19/h3-8,11,22,25-26H,2,9-10,12H2,1H3,(H,23,24)
InChIKeyFEVGMLWPRAMYRE-UHFFFAOYSA-N
MW463.32 g/mol
LogP3.93
Rot. Bonds7

About 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol

2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol (PubChem CID 135358994) has the molecular formula C20H22IN3O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol
PubChem CID135358994
Molecular FormulaC20H22IN3O2
Molecular Weight463.32 g/mol
Exact Mass463.08
IUPAC Name2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol
SMILESCCc1c(O)ccc(Nc2ccnc3cc(I)ccc23)c1CNCCO
InChIInChI=1S/C20H22IN3O2/c1-2-14-16(12-22-9-10-25)17(5-6-20(14)26)24-18-7-8-23-19-11-13(21)3-4-15(18)19/h3-8,11,22,25-26H,2,9-10,12H2,1H3,(H,23,24)
InChIKeyFEVGMLWPRAMYRE-UHFFFAOYSA-N
XLogP3.93
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]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

2-butyl-4-[(7-iodoquinolin-4-yl)amino]-3-(methylaminomethyl)phenol
CID 142403379
4-[(7-iodoquinolin-4-yl)amino]-3-(methylaminomethyl)-2-propan-2-ylphenol
CID 142403380
4-[(7-iodoquinolin-4-yl)amino]-2-[(2-methylpropylamino)methyl]phenol
CID 135358668
N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine
CID 44532440
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
CID 12604276
4-[(7-iodoquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol
CID 135359000
4-[(7-chloroquinolin-4-yl)amino]-2-[(hexylamino)methyl]phenol
CID 135358665
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
6-[[ethyl(propyl)amino]methyl]-4-[(7-iodoquinolin-4-yl)amino]cyclohexa-2,4-dien-1-ol
CID 153301338
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol?
The IUPAC name of 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol (CID 135358994) is 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol.
What is the SMILES notation for 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol?
The canonical SMILES for 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol is CCc1c(O)ccc(Nc2ccnc3cc(I)ccc23)c1CNCCO.
What is the InChIKey of 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol?
The InChIKey is FEVGMLWPRAMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O2/c1-2-14-16(12-22-9-10-25)17(5-6-20(14)26)24-18-7-8-23-19-11-13(21)3-4-15(18)19/h3-8,11,22,25-26H,2,9-10,12H2,1H3,(H,23,24).
What are the key properties of 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol?
2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol has a molecular weight of 463.32 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol is sourced from PubChem (CID 135358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).