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

C17H15ClN2O3 — CID 2920571

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
InChIKeyUPLAQKIMKDWICQ-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.80
Rot. Bonds4

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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide (PubChem CID 2920571) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
PubChem CID2920571
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
InChIKeyUPLAQKIMKDWICQ-UHFFFAOYSA-N
XLogP3.80
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.80
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]propanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide (CID 2920571) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide is CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide?
The InChIKey is UPLAQKIMKDWICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide has a molecular weight of 330.77 g/mol, XLogP of 3.80, 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]propanamide is sourced from PubChem (CID 2920571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).