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

C18H18N2O3 — CID 2876959

IUPACN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H18N2O3/c1-11(2)18(22)20-16(14-6-4-10-23-14)13-8-7-12-5-3-9-19-15(12)17(13)21/h3-11,16,21H,1-2H3,(H,20,22)
InChIKeyPBZYAPZLINAHET-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.39
Rot. Bonds4

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

N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (PubChem CID 2876959) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
PubChem CID2876959
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H18N2O3/c1-11(2)18(22)20-16(14-6-4-10-23-14)13-8-7-12-5-3-9-19-15(12)17(13)21/h3-11,16,21H,1-2H3,(H,20,22)
InChIKeyPBZYAPZLINAHET-UHFFFAOYSA-N
XLogP3.39
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (CID 2876959) is N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The InChIKey is PBZYAPZLINAHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)18(22)20-16(14-6-4-10-23-14)13-8-7-12-5-3-9-19-15(12)17(13)21/h3-11,16,21H,1-2H3,(H,20,22).
What are the key properties of N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 3.39, 4 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]-2-methylpropanamide is sourced from PubChem (CID 2876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).