N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide

C16H14N2O3 — CID 2876915

IUPACN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C16H14N2O3/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19)
InChIKeyHEZNTDQCEKDWGC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.76
Rot. Bonds3

About N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide

N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide (PubChem CID 2876915) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide
PubChem CID2876915
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C16H14N2O3/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19)
InChIKeyHEZNTDQCEKDWGC-UHFFFAOYSA-N
XLogP2.76
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.76
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-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
CID 2876872
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876959
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
CID 2920571
N-[(8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 2876839
N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]pentanamide
CID 3129249
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenylacetamide
CID 3144586
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide
CID 2897057
N-[2-furyl(8-hydroxy-5-nitro-7-quinolinyl)methyl]butanamide
CID 2921022
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
CID 2921053
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]butanamide
CID 2930234
N-((8-Hydroxyquinolin-7-yl)(3-methoxyphenyl)methyl)benzamide
CID 3132203
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-furyl)methyl]pentanamide
CID 3138753

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide (CID 2876915) is N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide is CC(=O)NC(c1ccco1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The InChIKey is HEZNTDQCEKDWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19).
What are the key properties of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide?
N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 2876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).