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

C18H17ClN2O3 — CID 2927366

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H17ClN2O3/c1-10(2)18(23)21-15(14-6-4-8-24-14)12-9-13(19)11-5-3-7-20-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,21,23)
InChIKeyWVFMBPBMXPRWHY-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.05
Rot. Bonds4

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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide (PubChem CID 2927366) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide
PubChem CID2927366
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H17ClN2O3/c1-10(2)18(23)21-15(14-6-4-8-24-14)12-9-13(19)11-5-3-7-20-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,21,23)
InChIKeyWVFMBPBMXPRWHY-UHFFFAOYSA-N
XLogP4.05
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.05
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-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide (CID 2927366) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide?
The InChIKey is WVFMBPBMXPRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-10(2)18(23)21-15(14-6-4-8-24-14)12-9-13(19)11-5-3-7-20-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,21,23).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide has a molecular weight of 344.80 g/mol, XLogP of 4.05, 4 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-methylpropanamide is sourced from PubChem (CID 2927366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).