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

C19H16Cl2N2O2 — CID 2920300

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H16Cl2N2O2/c1-2-16(24)23-17(11-6-3-4-8-14(11)20)13-10-15(21)12-7-5-9-22-18(12)19(13)25/h3-10,17,25H,2H2,1H3,(H,23,24)
InChIKeyQOAKBXJYFIBKGC-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.86
Rot. Bonds4

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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide (PubChem CID 2920300) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide
PubChem CID2920300
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C19H16Cl2N2O2/c1-2-16(24)23-17(11-6-3-4-8-14(11)20)13-10-15(21)12-7-5-9-22-18(12)19(13)25/h3-10,17,25H,2H2,1H3,(H,23,24)
InChIKeyQOAKBXJYFIBKGC-UHFFFAOYSA-N
XLogP4.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(2-chlorophenyl)methyl]propanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide (CID 2920300) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide is CCC(=O)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide?
The InChIKey is QOAKBXJYFIBKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-2-16(24)23-17(11-6-3-4-8-14(11)20)13-10-15(21)12-7-5-9-22-18(12)19(13)25/h3-10,17,25H,2H2,1H3,(H,23,24).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide has a molecular weight of 375.26 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 2920300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).