(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide

C21H19IN2O3 — CID 166321743

IUPAC(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ncccc2c1)NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C21H19IN2O3/c22-17-5-7-19(8-6-17)27-14-18(25)13-24-21(26)10-4-15-3-9-20-16(12-15)2-1-11-23-20/h1-12,18,25H,13-14H2,(H,24,26)/b10-4+
InChIKeyDMKFKEWZUMBJTI-ONNFQVAWSA-N
MW474.30 g/mol
LogP3.41
Rot. Bonds7

About (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide

(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide (PubChem CID 166321743) has the molecular formula C21H19IN2O3 and a molecular weight of 474.30 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide
PubChem CID166321743
Molecular FormulaC21H19IN2O3
Molecular Weight474.30 g/mol
Exact Mass474.04
IUPAC Name(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ncccc2c1)NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C21H19IN2O3/c22-17-5-7-19(8-6-17)27-14-18(25)13-24-21(26)10-4-15-3-9-20-16(12-15)2-1-11-23-20/h1-12,18,25H,13-14H2,(H,24,26)/b10-4+
InChIKeyDMKFKEWZUMBJTI-ONNFQVAWSA-N
XLogP3.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119768613
3-amino-4-quinolin-6-yloxybutanoic acid
CID 82130669
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
CID 55731322
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
CID 111825354
1-quinolin-6-yloxypropan-2-amine
CID 86262441

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide (CID 166321743) is (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide is O=C(/C=C/c1ccc2ncccc2c1)NCC(O)COc1ccc(I)cc1.
What is the InChIKey of (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide?
The InChIKey is DMKFKEWZUMBJTI-ONNFQVAWSA-N. The full InChI is InChI=1S/C21H19IN2O3/c22-17-5-7-19(8-6-17)27-14-18(25)13-24-21(26)10-4-15-3-9-20-16(12-15)2-1-11-23-20/h1-12,18,25H,13-14H2,(H,24,26)/b10-4+.
What are the key properties of (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide?
(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide has a molecular weight of 474.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide is sourced from PubChem (CID 166321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).