N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide

C22H17ClN2O3 — CID 3144586

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H17ClN2O3/c23-17-13-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-28-18)25-19(26)12-14-6-2-1-3-7-14/h1-11,13,20,27H,12H2,(H,25,26)
InChIKeyGEMUFCURVXNVJY-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.64
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide (PubChem CID 3144586) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide
PubChem CID3144586
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H17ClN2O3/c23-17-13-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-28-18)25-19(26)12-14-6-2-1-3-7-14/h1-11,13,20,27H,12H2,(H,25,26)
InChIKeyGEMUFCURVXNVJY-UHFFFAOYSA-N
XLogP4.64
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
CID 2920571
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876959
N-[(5-chloro-8-hydroxy-7-quinolinyl)(3,4-dimethoxyphenyl)methyl]nicotinamide
CID 2896669
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide
CID 2922086
N-[(5-chloro-8-hydroxy-7-quinolyl)-(3,4-dimethoxyphenyl)methyl]butanamide
CID 2928707
N-[(5-chloro-8-hydroxy-7-quinolinyl)(2-chlorophenyl)methyl]-4-methoxybenzamide
CID 2897388
N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2876915
N-[(5-chloro-8-hydroxy-7-quinolinyl)(2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 2896378
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2896405
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2897031
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide
CID 2897057
N-[(5-chloro-8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl]-3-methoxybenzamide
CID 2897232

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide (CID 3144586) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide?
The InChIKey is GEMUFCURVXNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-17-13-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-28-18)25-19(26)12-14-6-2-1-3-7-14/h1-11,13,20,27H,12H2,(H,25,26).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide has a molecular weight of 392.84 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 3144586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).